REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3clq_1_B DATA FIRST_RESID 54 DATA SEQUENCE SNAPTLYEKI QQANEEAVTR IIQSKPILVG FDKAINVXPD XTETTILHAG DATA SEQUENCE PPITYENXCG PXKGAVQGAL VFEGLAKDLA DADRVARSGA ITFSPCHEHD DATA SEQUENCE AVGSXAGVTS PNXYVHIIKN ETYGNTAFTN LSEQLAKVLR FGANDQSVVD DATA SEQUENCE RLIWXRDVLG PLLHDAXTFC PEGIDLRLXL SQALHXGDEC HNRNVAGSTL DATA SEQUENCE LVQALTPYXV QTDFSREQLK EVFEFLGSSD YFSGPTWXGA AKCALDAGHN DATA SEQUENCE VENSTIVTTX CRNGVEFGIR VSGIGGNHWF TGPAQRVIGP XFAGYTQEDA DATA SEQUENCE GLDXGDSAIT ETYGVGGFAX AAAPAIVPLV GGTVAEALNY SKEXLEITTK DATA SEQUENCE ENPNVTIPVL DFXGIPTGID VLKVLETGXL PVINTAIAHK EPGIGXIGAG DATA SEQUENCE LTNPPANVFN EALKALVATI N VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 54 S HA 0.000 nan 4.470 nan 0.000 0.327 54 S C 0.000 174.605 174.600 0.008 0.000 1.055 54 S CA 0.000 58.204 58.200 0.006 0.000 1.107 54 S CB 0.000 63.203 63.200 0.005 0.000 0.593 55 N N 0.760 119.465 118.700 0.009 0.000 2.187 55 N HA 0.359 5.099 4.740 0.000 0.000 0.212 55 N C 0.578 176.095 175.510 0.012 0.000 1.152 55 N CA 0.486 53.543 53.050 0.012 0.000 0.872 55 N CB 0.748 39.242 38.487 0.012 0.000 1.025 55 N HN 1.121 nan 8.380 nan 0.000 0.514 56 A N 2.329 125.154 122.820 0.009 0.000 1.898 56 A HA -0.129 4.191 4.320 0.000 0.000 0.338 56 A C -1.770 175.820 177.584 0.009 0.000 0.853 56 A CA -0.332 51.710 52.037 0.008 0.000 1.514 56 A CB -0.982 18.022 19.000 0.007 0.000 0.632 56 A HN 0.116 nan 8.150 nan 0.000 0.231 57 P HA -0.070 nan 4.420 nan 0.000 0.214 57 P C 1.029 178.335 177.300 0.011 0.000 0.970 57 P CA 1.465 64.569 63.100 0.007 0.000 1.047 57 P CB -0.205 31.497 31.700 0.002 0.000 1.015 58 T N 0.870 115.436 114.554 0.020 0.000 2.889 58 T HA 0.180 4.530 4.350 0.000 0.000 0.340 58 T C 0.935 175.656 174.700 0.036 0.000 1.145 58 T CA -0.242 61.876 62.100 0.030 0.000 0.986 58 T CB 0.302 69.195 68.868 0.043 0.000 1.461 58 T HN 0.091 nan 8.240 nan 0.000 0.541 59 L N -0.972 120.286 121.223 0.058 0.000 2.228 59 L HA 0.245 4.585 4.340 0.000 0.000 0.196 59 L C 2.475 179.395 176.870 0.084 0.000 1.162 59 L CA 0.635 55.511 54.840 0.061 0.000 0.801 59 L CB -0.965 41.135 42.059 0.067 0.000 0.983 59 L HN 0.826 nan 8.230 nan 0.000 0.471 60 Y N 1.166 121.461 120.300 -0.008 0.000 2.215 60 Y HA -0.366 4.184 4.550 0.000 0.000 0.282 60 Y C 2.270 178.166 175.900 -0.007 0.000 1.207 60 Y CA 2.172 60.267 58.100 -0.007 0.000 1.196 60 Y CB -0.221 38.235 38.460 -0.006 0.000 0.969 60 Y HN 0.398 nan 8.280 nan 0.000 0.528 61 E N 0.470 120.686 120.200 0.027 0.000 2.005 61 E HA -0.265 4.085 4.350 0.000 0.000 0.198 61 E C 2.085 178.629 176.600 -0.094 0.000 1.010 61 E CA 1.764 58.134 56.400 -0.051 0.000 0.825 61 E CB -0.584 29.121 29.700 0.008 0.000 0.769 61 E HN 0.468 nan 8.360 nan 0.000 0.456 62 K N 0.437 120.809 120.400 -0.047 0.000 2.127 62 K HA -0.177 4.143 4.320 0.000 0.000 0.208 62 K C 2.241 178.794 176.600 -0.078 0.000 1.047 62 K CA 1.306 57.564 56.287 -0.050 0.000 0.927 62 K CB -0.276 32.208 32.500 -0.027 0.000 0.716 62 K HN 0.092 nan 8.250 nan 0.000 0.450 63 I N 0.349 120.854 120.570 -0.108 0.000 2.233 63 I HA -0.255 3.915 4.170 0.000 0.000 0.243 63 I C 2.368 178.372 176.117 -0.188 0.000 1.093 63 I CA 1.005 62.223 61.300 -0.137 0.000 1.380 63 I CB -0.093 37.824 38.000 -0.139 0.000 1.067 63 I HN 0.070 nan 8.210 nan 0.000 0.413 64 Q N 0.464 120.089 119.800 -0.292 0.000 2.096 64 Q HA -0.255 4.085 4.340 0.000 0.000 0.204 64 Q C 2.194 178.110 176.000 -0.140 0.000 0.982 64 Q CA 1.762 57.409 55.803 -0.261 0.000 0.850 64 Q CB -0.333 28.204 28.738 -0.335 0.000 0.901 64 Q HN 0.517 nan 8.270 nan 0.000 0.422 65 Q N -0.975 118.759 119.800 -0.110 0.000 2.050 65 Q HA -0.068 4.272 4.340 0.000 0.000 0.202 65 Q C 1.972 177.933 176.000 -0.065 0.000 0.980 65 Q CA 1.467 57.228 55.803 -0.070 0.000 0.840 65 Q CB -0.229 28.477 28.738 -0.053 0.000 0.898 65 Q HN 0.429 nan 8.270 nan 0.000 0.424 66 A N 1.035 123.811 122.820 -0.072 0.000 1.930 66 A HA -0.188 4.132 4.320 0.000 0.000 0.217 66 A C 1.656 179.201 177.584 -0.064 0.000 1.175 66 A CA 1.558 53.556 52.037 -0.065 0.000 0.627 66 A CB -0.416 18.544 19.000 -0.067 0.000 0.815 66 A HN 0.286 nan 8.150 nan 0.000 0.443 67 N N -0.148 118.509 118.700 -0.071 0.000 2.188 67 N HA -0.110 4.630 4.740 0.000 0.000 0.184 67 N C 1.622 177.104 175.510 -0.046 0.000 1.018 67 N CA 1.422 54.437 53.050 -0.058 0.000 0.858 67 N CB -0.350 38.099 38.487 -0.064 0.000 0.989 67 N HN 0.636 nan 8.380 nan 0.000 0.426 68 E N 1.195 121.365 120.200 -0.049 0.000 2.049 68 E HA -0.230 4.120 4.350 0.000 0.000 0.198 68 E C 1.755 178.339 176.600 -0.028 0.000 1.007 68 E CA 1.371 57.750 56.400 -0.034 0.000 0.809 68 E CB -0.235 29.444 29.700 -0.034 0.000 0.749 68 E HN 0.267 nan 8.360 nan 0.000 0.450 69 E N 0.045 120.224 120.200 -0.035 0.000 2.047 69 E HA -0.082 4.268 4.350 0.000 0.000 0.191 69 E C 1.855 178.422 176.600 -0.055 0.000 0.987 69 E CA 1.695 58.072 56.400 -0.038 0.000 0.799 69 E CB -0.718 28.956 29.700 -0.044 0.000 0.752 69 E HN 0.302 nan 8.360 nan 0.000 0.449 70 A N 0.385 123.170 122.820 -0.059 0.000 1.858 70 A HA -0.137 4.183 4.320 0.000 0.000 0.216 70 A C 2.556 180.113 177.584 -0.046 0.000 1.190 70 A CA 1.761 53.760 52.037 -0.063 0.000 0.617 70 A CB -1.108 17.861 19.000 -0.051 0.000 0.827 70 A HN 0.259 nan 8.150 nan 0.000 0.443 71 V N -0.160 119.737 119.914 -0.029 0.000 2.626 71 V HA -0.154 3.967 4.120 0.000 0.000 0.252 71 V C 2.427 178.519 176.094 -0.004 0.000 1.067 71 V CA 2.741 65.031 62.300 -0.017 0.000 1.081 71 V CB -0.798 31.016 31.823 -0.015 0.000 0.686 71 V HN 0.633 nan 8.190 nan 0.000 0.468 72 T N -0.012 114.541 114.554 -0.001 0.000 2.867 72 T HA -0.110 4.240 4.350 0.000 0.000 0.268 72 T C 1.956 176.695 174.700 0.066 0.000 1.057 72 T CA 1.384 63.504 62.100 0.033 0.000 1.136 72 T CB -0.171 68.720 68.868 0.037 0.000 0.874 72 T HN 0.509 nan 8.240 nan 0.000 0.466 73 R N 0.501 120.987 120.500 -0.023 0.000 2.062 73 R HA 0.042 4.382 4.340 0.000 0.000 0.231 73 R C 2.452 178.788 176.300 0.061 0.000 1.136 73 R CA 1.241 57.268 56.100 -0.122 0.000 0.948 73 R CB -0.622 29.407 30.300 -0.451 0.000 0.845 73 R HN 0.375 nan 8.270 nan 0.000 0.430 74 I N 0.931 121.519 120.570 0.030 0.000 2.118 74 I HA -0.344 3.826 4.170 0.000 0.000 0.241 74 I C 2.429 178.627 176.117 0.134 0.000 1.070 74 I CA 1.626 62.981 61.300 0.092 0.000 1.327 74 I CB -0.381 37.644 38.000 0.041 0.000 1.034 74 I HN 0.137 nan 8.210 nan 0.000 0.405 75 I N 0.035 120.650 120.570 0.074 0.000 2.226 75 I HA -0.300 3.870 4.170 0.000 0.000 0.245 75 I C 2.363 178.553 176.117 0.122 0.000 1.100 75 I CA 1.548 62.887 61.300 0.065 0.000 1.374 75 I CB -0.285 37.732 38.000 0.029 0.000 1.057 75 I HN 0.326 nan 8.210 nan 0.000 0.413 76 Q N -0.168 119.730 119.800 0.164 0.000 2.425 76 Q HA 0.095 4.435 4.340 0.000 0.000 0.204 76 Q C 0.713 176.818 176.000 0.176 0.000 0.933 76 Q CA -0.063 55.836 55.803 0.160 0.000 0.939 76 Q CB 0.235 29.071 28.738 0.164 0.000 1.044 76 Q HN 0.345 nan 8.270 nan 0.000 0.513 77 S N 1.493 117.365 115.700 0.286 0.000 2.558 77 S HA 0.031 4.501 4.470 0.000 0.000 0.287 77 S C 0.129 174.801 174.600 0.120 0.000 1.321 77 S CA 0.456 58.804 58.200 0.246 0.000 1.048 77 S CB 0.402 63.759 63.200 0.261 0.000 0.844 77 S HN 0.125 nan 8.310 nan 0.000 0.512 78 K N 2.768 123.202 120.400 0.056 0.000 2.701 78 K HA 0.303 4.623 4.320 0.000 0.000 0.212 78 K C -2.958 173.647 176.600 0.008 0.000 1.035 78 K CA -1.880 54.423 56.287 0.027 0.000 1.048 78 K CB 1.110 33.608 32.500 -0.003 0.000 1.234 78 K HN 0.245 nan 8.250 nan 0.000 0.540 79 P HA 0.043 nan 4.420 nan 0.000 0.266 79 P C -0.687 176.600 177.300 -0.021 0.000 1.215 79 P CA -0.067 63.017 63.100 -0.025 0.000 0.763 79 P CB 0.421 32.095 31.700 -0.043 0.000 0.806 80 I N 4.604 125.148 120.570 -0.043 0.000 2.378 80 I HA 0.208 4.378 4.170 0.000 0.000 0.291 80 I C 0.169 176.244 176.117 -0.071 0.000 0.992 80 I CA -1.211 60.066 61.300 -0.038 0.000 1.154 80 I CB 1.327 39.305 38.000 -0.036 0.000 1.315 80 I HN 0.208 nan 8.210 nan 0.000 0.448 81 L N 8.701 129.888 121.223 -0.059 0.000 2.385 81 L HA 0.187 4.527 4.340 0.000 0.000 0.281 81 L C 0.790 177.591 176.870 -0.115 0.000 1.106 81 L CA 0.464 55.237 54.840 -0.111 0.000 0.856 81 L CB 0.784 42.797 42.059 -0.076 0.000 1.186 81 L HN 0.528 nan 8.230 nan 0.000 0.453 82 V N 2.498 122.319 119.914 -0.156 0.000 3.523 82 V HA 0.775 4.895 4.120 0.000 0.000 0.255 82 V C 0.693 176.705 176.094 -0.136 0.000 1.226 82 V CA 0.708 62.933 62.300 -0.124 0.000 1.092 82 V CB -0.205 31.560 31.823 -0.097 0.000 0.817 82 V HN 0.874 nan 8.190 nan 0.000 0.458 83 G N -0.714 107.951 108.800 -0.226 0.000 2.548 83 G HA2 0.619 4.579 3.960 0.000 0.000 0.301 83 G HA3 0.619 4.579 3.960 0.000 0.000 0.301 83 G C -2.074 172.597 174.900 -0.382 0.000 1.349 83 G CA -0.694 44.313 45.100 -0.154 0.000 0.792 83 G HN 0.111 nan 8.290 nan 0.000 0.481 84 F N -0.318 119.719 119.950 0.145 0.000 2.601 84 F HA 0.748 5.275 4.527 0.000 0.000 0.309 84 F C -0.514 175.509 175.800 0.372 0.000 1.089 84 F CA -0.424 57.707 58.000 0.219 0.000 0.940 84 F CB 3.169 42.272 39.000 0.171 0.000 1.273 84 F HN 0.506 nan 8.300 nan 0.000 0.450 85 D N 0.610 121.280 120.400 0.450 0.000 2.742 85 D HA 0.179 4.820 4.640 0.000 0.000 0.262 85 D C -1.482 174.550 176.300 -0.447 0.000 1.240 85 D CA -0.841 53.197 54.000 0.064 0.000 0.752 85 D CB 1.837 42.686 40.800 0.083 0.000 1.290 85 D HN 0.371 nan 8.370 nan 0.000 0.420 86 K N 1.093 120.981 120.400 -0.852 0.000 2.489 86 K HA 0.333 4.654 4.320 0.000 0.000 0.278 86 K C 1.062 177.452 176.600 -0.350 0.000 1.000 86 K CA 0.378 56.249 56.287 -0.694 0.000 1.012 86 K CB 0.696 32.885 32.500 -0.518 0.000 0.903 86 K HN 0.452 nan 8.250 nan 0.000 0.485 87 A N 4.542 127.203 122.820 -0.265 0.000 1.881 87 A HA -0.240 4.080 4.320 0.000 0.000 0.219 87 A C 1.950 179.378 177.584 -0.261 0.000 1.215 87 A CA 1.611 53.498 52.037 -0.251 0.000 0.648 87 A CB -0.514 18.369 19.000 -0.194 0.000 0.832 87 A HN 0.834 nan 8.150 nan 0.000 0.455 88 I N 0.243 120.687 120.570 -0.211 0.000 2.423 88 I HA -0.202 3.968 4.170 0.000 0.000 0.254 88 I C 1.269 177.286 176.117 -0.167 0.000 1.151 88 I CA 1.599 62.790 61.300 -0.181 0.000 1.421 88 I CB -0.922 36.990 38.000 -0.146 0.000 1.079 88 I HN 0.330 nan 8.210 nan 0.000 0.431 89 N N 0.513 119.108 118.700 -0.175 0.000 2.409 89 N HA -0.041 4.699 4.740 0.000 0.000 0.179 89 N C 0.652 176.093 175.510 -0.116 0.000 1.032 89 N CA 0.813 53.784 53.050 -0.133 0.000 0.898 89 N CB 0.169 38.579 38.487 -0.129 0.000 0.971 89 N HN 0.391 nan 8.380 nan 0.000 0.441 96 E N 0.132 120.274 120.200 -0.097 0.000 2.418 96 E HA 0.012 4.362 4.350 0.000 0.000 0.197 96 E C 1.229 177.762 176.600 -0.110 0.000 1.026 96 E CA 1.306 57.645 56.400 -0.101 0.000 0.862 96 E CB -0.007 29.640 29.700 -0.089 0.000 0.799 96 E HN 0.728 nan 8.360 nan 0.000 0.518 97 T N -2.228 112.255 114.554 -0.117 0.000 3.269 97 T HA 0.216 4.566 4.350 0.000 0.000 0.269 97 T C 0.044 174.628 174.700 -0.194 0.000 0.993 97 T CA -0.563 61.453 62.100 -0.141 0.000 0.909 97 T CB 0.734 69.532 68.868 -0.117 0.000 1.115 97 T HN -0.218 nan 8.240 nan 0.000 0.543 98 T N 3.338 117.777 114.554 -0.191 0.000 2.792 98 T HA 0.671 5.021 4.350 0.000 0.000 0.280 98 T C -0.435 174.120 174.700 -0.241 0.000 0.990 98 T CA -0.743 61.221 62.100 -0.227 0.000 0.960 98 T CB 0.915 69.665 68.868 -0.197 0.000 0.939 98 T HN 0.610 nan 8.240 nan 0.000 0.439 99 I N 2.270 122.660 120.570 -0.299 0.000 2.582 99 I HA 0.661 4.831 4.170 0.000 0.000 0.292 99 I C -1.459 174.628 176.117 -0.049 0.000 1.066 99 I CA -1.279 59.915 61.300 -0.176 0.000 1.053 99 I CB 1.657 39.585 38.000 -0.121 0.000 1.241 99 I HN 0.435 nan 8.210 nan 0.000 0.421 100 L N 5.313 126.519 121.223 -0.028 0.000 2.344 100 L HA 0.641 4.981 4.340 0.000 0.000 0.272 100 L C -0.508 176.406 176.870 0.073 0.000 1.035 100 L CA -0.714 54.107 54.840 -0.033 0.000 0.807 100 L CB 1.529 43.514 42.059 -0.124 0.000 1.237 100 L HN 0.805 nan 8.230 nan 0.000 0.442 101 H N -0.080 119.031 119.070 0.069 0.000 2.949 101 H HA 0.821 5.377 4.556 0.000 0.000 0.356 101 H C -0.678 174.665 175.328 0.025 0.000 1.212 101 H CA -0.872 55.209 56.048 0.055 0.000 1.136 101 H CB 1.164 30.973 29.762 0.079 0.000 1.869 101 H HN 0.686 nan 8.280 nan 0.000 0.556 102 A N 0.493 123.392 122.820 0.131 0.000 2.296 102 A HA 0.644 4.964 4.320 0.000 0.000 0.264 102 A C 1.109 178.760 177.584 0.111 0.000 1.097 102 A CA 0.272 52.349 52.037 0.066 0.000 0.811 102 A CB -0.873 18.149 19.000 0.036 0.000 1.072 102 A HN 1.815 nan 8.150 nan 0.000 0.495 103 G N -0.513 108.292 108.800 0.007 0.000 2.741 103 G HA2 -0.068 3.892 3.960 0.000 0.000 0.222 103 G HA3 -0.068 3.892 3.960 0.000 0.000 0.222 103 G C -2.740 171.986 174.900 -0.290 0.000 1.364 103 G CA -0.208 44.822 45.100 -0.118 0.000 0.866 103 G HN 0.903 nan 8.290 nan 0.000 0.555 104 P HA 0.405 nan 4.420 nan 0.000 0.276 104 P C -2.636 174.329 177.300 -0.558 0.000 1.261 104 P CA -1.318 61.139 63.100 -1.072 0.000 0.800 104 P CB 0.156 31.307 31.700 -0.916 0.000 1.066 105 P HA 0.167 nan 4.420 nan 0.000 0.265 105 P C -0.290 176.920 177.300 -0.149 0.000 1.187 105 P CA 0.896 63.871 63.100 -0.208 0.000 0.766 105 P CB 0.135 31.714 31.700 -0.201 0.000 0.820 106 I N 1.198 121.709 120.570 -0.097 0.000 2.702 106 I HA 0.190 4.360 4.170 0.000 0.000 0.287 106 I C -0.122 175.875 176.117 -0.199 0.000 1.342 106 I CA -0.357 60.834 61.300 -0.182 0.000 1.063 106 I CB 1.603 39.447 38.000 -0.260 0.000 1.331 106 I HN 0.338 nan 8.210 nan 0.000 0.427 107 T N 3.192 117.657 114.554 -0.149 0.000 2.734 107 T HA 0.018 4.369 4.350 0.000 0.000 0.314 107 T C 0.827 175.359 174.700 -0.279 0.000 1.057 107 T CA 0.322 62.331 62.100 -0.152 0.000 1.047 107 T CB 0.587 69.404 68.868 -0.085 0.000 0.991 107 T HN 0.646 nan 8.240 nan 0.000 0.540 108 Y N 1.317 121.314 120.300 -0.505 0.000 2.163 108 Y HA -0.019 4.531 4.550 0.000 0.000 0.288 108 Y C 2.372 178.076 175.900 -0.327 0.000 1.136 108 Y CA 1.807 59.538 58.100 -0.614 0.000 1.147 108 Y CB -0.526 37.438 38.460 -0.827 0.000 0.987 108 Y HN 0.762 nan 8.280 nan 0.000 0.509 109 E N 0.869 120.930 120.200 -0.233 0.000 2.160 109 E HA -0.151 4.199 4.350 0.000 0.000 0.195 109 E C 0.429 176.866 176.600 -0.272 0.000 0.991 109 E CA 1.074 57.329 56.400 -0.243 0.000 0.810 109 E CB -0.298 29.353 29.700 -0.081 0.000 0.742 109 E HN 0.450 nan 8.360 nan 0.000 0.466 113 G N 1.601 110.367 108.800 -0.057 0.000 2.764 113 G HA2 0.015 3.975 3.960 0.000 0.000 0.219 113 G HA3 0.015 3.975 3.960 0.000 0.000 0.219 113 G C -1.502 173.396 174.900 -0.003 0.000 1.259 113 G CA 2.042 47.127 45.100 -0.024 0.000 0.793 113 G HN 0.859 nan 8.290 nan 0.000 0.633 117 G N 1.719 110.566 108.800 0.079 0.000 2.450 117 G HA2 -0.228 3.732 3.960 0.000 0.000 0.220 117 G HA3 -0.228 3.732 3.960 0.000 0.000 0.220 117 G C 1.457 176.418 174.900 0.102 0.000 1.130 117 G CA 1.496 46.649 45.100 0.089 0.000 0.760 117 G HN 0.352 nan 8.290 nan 0.000 0.557 118 A N 0.725 123.605 122.820 0.100 0.000 1.855 118 A HA 0.049 4.369 4.320 0.000 0.000 0.215 118 A C 2.728 180.392 177.584 0.133 0.000 1.191 118 A CA 2.496 54.592 52.037 0.099 0.000 0.613 118 A CB -1.031 18.019 19.000 0.082 0.000 0.829 118 A HN 0.948 nan 8.150 nan 0.000 0.442 119 V N -1.834 118.193 119.914 0.188 0.000 2.568 119 V HA -0.324 3.796 4.120 0.000 0.000 0.253 119 V C 2.035 178.231 176.094 0.170 0.000 1.072 119 V CA 2.558 64.995 62.300 0.230 0.000 1.084 119 V CB -1.115 30.937 31.823 0.381 0.000 0.676 119 V HN 0.620 nan 8.190 nan 0.000 0.469 120 Q N 0.903 120.798 119.800 0.158 0.000 2.096 120 Q HA 0.081 4.421 4.340 0.000 0.000 0.197 120 Q C 2.422 178.487 176.000 0.108 0.000 0.964 120 Q CA 1.586 57.462 55.803 0.121 0.000 0.838 120 Q CB -0.586 28.224 28.738 0.121 0.000 0.906 120 Q HN 0.748 nan 8.270 nan 0.000 0.444 121 G N 0.583 109.448 108.800 0.108 0.000 2.418 121 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 121 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 121 G C 1.460 176.443 174.900 0.137 0.000 1.158 121 G CA 0.861 46.025 45.100 0.106 0.000 0.771 121 G HN 0.412 nan 8.290 nan 0.000 0.545 122 A N 0.605 123.504 122.820 0.131 0.000 1.865 122 A HA 0.023 4.344 4.320 0.000 0.000 0.217 122 A C 2.361 180.070 177.584 0.209 0.000 1.191 122 A CA 1.535 53.675 52.037 0.171 0.000 0.623 122 A CB -0.542 18.536 19.000 0.130 0.000 0.826 122 A HN 0.282 nan 8.150 nan 0.000 0.444 123 L N -0.207 121.093 121.223 0.129 0.000 2.042 123 L HA -0.150 4.191 4.340 0.000 0.000 0.210 123 L C 2.657 179.573 176.870 0.076 0.000 1.076 123 L CA 1.506 56.392 54.840 0.077 0.000 0.749 123 L CB -1.113 40.972 42.059 0.043 0.000 0.893 123 L HN 0.227 nan 8.230 nan 0.000 0.432 124 V N -0.743 119.232 119.914 0.102 0.000 2.343 124 V HA -0.328 3.792 4.120 0.000 0.000 0.247 124 V C 2.305 178.467 176.094 0.113 0.000 1.051 124 V CA 1.867 64.221 62.300 0.090 0.000 1.036 124 V CB -0.745 31.136 31.823 0.096 0.000 0.654 124 V HN 0.432 nan 8.190 nan 0.000 0.451 125 F N 1.457 121.421 119.950 0.024 0.000 2.075 125 F HA -0.161 4.366 4.527 0.000 0.000 0.297 125 F C 2.475 178.281 175.800 0.010 0.000 1.113 125 F CA 1.961 59.976 58.000 0.026 0.000 1.218 125 F CB -0.345 38.678 39.000 0.039 0.000 0.984 125 F HN 0.089 nan 8.300 nan 0.000 0.472 126 E N 0.681 120.782 120.200 -0.164 0.000 2.209 126 E HA -0.077 4.274 4.350 0.000 0.000 0.196 126 E C 1.834 178.298 176.600 -0.226 0.000 0.993 126 E CA 1.219 57.452 56.400 -0.280 0.000 0.819 126 E CB -0.934 28.729 29.700 -0.062 0.000 0.745 126 E HN 0.655 nan 8.360 nan 0.000 0.477 127 G N 0.482 109.203 108.800 -0.131 0.000 2.140 127 G HA2 -0.236 3.724 3.960 0.000 0.000 0.211 127 G HA3 -0.236 3.724 3.960 0.000 0.000 0.211 127 G C 0.680 175.541 174.900 -0.065 0.000 1.013 127 G CA 0.378 45.420 45.100 -0.097 0.000 0.705 127 G HN 0.279 nan 8.290 nan 0.000 0.508 128 L N -0.612 120.582 121.223 -0.048 0.000 2.585 128 L HA 0.603 4.943 4.340 0.000 0.000 0.226 128 L C 1.279 178.133 176.870 -0.026 0.000 1.113 128 L CA 0.923 55.737 54.840 -0.043 0.000 0.876 128 L CB 0.207 42.236 42.059 -0.051 0.000 1.072 128 L HN 0.616 nan 8.230 nan 0.000 0.468 129 A N -0.540 122.273 122.820 -0.012 0.000 2.549 129 A HA 0.443 4.763 4.320 0.000 0.000 0.297 129 A C 0.283 177.870 177.584 0.006 0.000 1.061 129 A CA -0.635 51.401 52.037 -0.002 0.000 0.690 129 A CB 1.266 20.268 19.000 0.005 0.000 1.287 129 A HN 0.087 nan 8.150 nan 0.000 0.402 130 K N 0.255 120.658 120.400 0.006 0.000 2.211 130 K HA 0.035 4.355 4.320 0.000 0.000 0.203 130 K C -0.237 176.376 176.600 0.020 0.000 1.050 130 K CA 1.800 58.093 56.287 0.010 0.000 0.945 130 K CB -0.231 32.273 32.500 0.007 0.000 0.732 130 K HN 0.890 nan 8.250 nan 0.000 0.451 131 D N -3.116 117.299 120.400 0.025 0.000 2.725 131 D HA 0.076 4.717 4.640 0.000 0.000 0.292 131 D C 0.151 176.474 176.300 0.038 0.000 1.288 131 D CA -0.817 53.202 54.000 0.033 0.000 0.784 131 D CB 0.296 41.112 40.800 0.028 0.000 1.308 131 D HN -0.331 nan 8.370 nan 0.000 0.429 132 L N 0.758 122.007 121.223 0.044 0.000 1.943 132 L HA -0.003 4.337 4.340 0.000 0.000 0.215 132 L C 2.740 179.639 176.870 0.050 0.000 1.074 132 L CA 2.807 57.678 54.840 0.052 0.000 0.759 132 L CB -1.462 40.629 42.059 0.052 0.000 0.888 132 L HN 0.824 nan 8.230 nan 0.000 0.433 133 A N -0.672 122.173 122.820 0.042 0.000 1.958 133 A HA -0.330 3.990 4.320 0.000 0.000 0.221 133 A C 2.113 179.719 177.584 0.036 0.000 1.178 133 A CA 2.213 54.274 52.037 0.040 0.000 0.642 133 A CB -0.908 18.110 19.000 0.032 0.000 0.816 133 A HN 0.596 nan 8.150 nan 0.000 0.453 134 D N -0.131 120.286 120.400 0.029 0.000 2.097 134 D HA -0.035 4.605 4.640 0.000 0.000 0.197 134 D C 2.074 178.385 176.300 0.018 0.000 0.984 134 D CA 1.821 55.834 54.000 0.021 0.000 0.826 134 D CB -0.489 40.320 40.800 0.016 0.000 0.973 134 D HN 0.332 nan 8.370 nan 0.000 0.460 135 A N 0.785 123.620 122.820 0.026 0.000 1.869 135 A HA -0.282 4.038 4.320 0.000 0.000 0.218 135 A C 2.112 179.700 177.584 0.006 0.000 1.203 135 A CA 2.556 54.605 52.037 0.021 0.000 0.638 135 A CB -1.344 17.683 19.000 0.044 0.000 0.831 135 A HN 0.398 nan 8.150 nan 0.000 0.450 136 D N -0.870 119.557 120.400 0.045 0.000 2.220 136 D HA -0.227 4.413 4.640 0.000 0.000 0.198 136 D C 2.028 178.343 176.300 0.025 0.000 1.001 136 D CA 1.742 55.787 54.000 0.075 0.000 0.875 136 D CB -0.226 40.650 40.800 0.126 0.000 0.921 136 D HN 0.526 nan 8.370 nan 0.000 0.454 137 R N -0.520 119.989 120.500 0.016 0.000 2.062 137 R HA -0.061 4.279 4.340 0.000 0.000 0.229 137 R C 2.307 178.594 176.300 -0.022 0.000 1.128 137 R CA 1.206 57.310 56.100 0.007 0.000 0.960 137 R CB -0.121 30.186 30.300 0.011 0.000 0.855 137 R HN 0.111 nan 8.270 nan 0.000 0.432 138 V N 1.135 121.028 119.914 -0.034 0.000 2.343 138 V HA -0.234 3.886 4.120 0.000 0.000 0.247 138 V C 2.487 178.537 176.094 -0.072 0.000 1.051 138 V CA 1.925 64.198 62.300 -0.043 0.000 1.036 138 V CB -0.863 30.937 31.823 -0.038 0.000 0.654 138 V HN 0.501 nan 8.190 nan 0.000 0.451 139 A N 0.091 122.816 122.820 -0.158 0.000 1.908 139 A HA -0.232 4.088 4.320 0.000 0.000 0.218 139 A C 2.386 179.818 177.584 -0.253 0.000 1.181 139 A CA 1.870 53.737 52.037 -0.284 0.000 0.627 139 A CB -0.507 17.952 19.000 -0.901 0.000 0.818 139 A HN 0.519 nan 8.150 nan 0.000 0.445 140 R N 0.568 120.956 120.500 -0.186 0.000 2.189 140 R HA -0.013 4.328 4.340 0.000 0.000 0.218 140 R C 1.009 177.322 176.300 0.021 0.000 1.074 140 R CA 0.718 56.815 56.100 -0.005 0.000 0.991 140 R CB -0.270 30.070 30.300 0.067 0.000 0.883 140 R HN 0.673 nan 8.270 nan 0.000 0.457 141 S N -0.939 114.764 115.700 0.004 0.000 2.617 141 S HA 0.194 4.664 4.470 0.000 0.000 0.269 141 S C 1.239 175.856 174.600 0.028 0.000 1.292 141 S CA -0.482 57.726 58.200 0.014 0.000 1.010 141 S CB 1.689 64.889 63.200 0.000 0.000 0.944 141 S HN 0.212 nan 8.310 nan 0.000 0.536 142 G N -0.213 108.602 108.800 0.025 0.000 2.807 142 G HA2 0.248 4.208 3.960 0.000 0.000 0.207 142 G HA3 0.248 4.208 3.960 0.000 0.000 0.207 142 G C 0.837 175.748 174.900 0.018 0.000 1.151 142 G CA 0.184 45.303 45.100 0.033 0.000 0.800 142 G HN 1.128 nan 8.290 nan 0.000 0.523 143 A N 0.054 122.874 122.820 -0.001 0.000 2.327 143 A HA 0.614 4.934 4.320 0.000 0.000 0.228 143 A C 0.417 177.957 177.584 -0.073 0.000 1.275 143 A CA -0.067 51.951 52.037 -0.031 0.000 0.875 143 A CB -0.121 18.858 19.000 -0.036 0.000 0.925 143 A HN 0.311 nan 8.150 nan 0.000 0.493 144 I N -0.740 119.781 120.570 -0.082 0.000 2.656 144 I HA 0.215 4.385 4.170 0.000 0.000 0.292 144 I C -0.795 175.172 176.117 -0.250 0.000 1.144 144 I CA -0.503 60.645 61.300 -0.253 0.000 1.038 144 I CB 2.607 40.319 38.000 -0.480 0.000 1.244 144 I HN -0.152 nan 8.210 nan 0.000 0.420 145 T N 5.686 120.070 114.554 -0.282 0.000 2.738 145 T HA 0.460 4.810 4.350 0.000 0.000 0.298 145 T C -0.572 173.985 174.700 -0.239 0.000 0.962 145 T CA -0.095 61.922 62.100 -0.140 0.000 0.972 145 T CB -0.112 68.721 68.868 -0.059 0.000 0.928 145 T HN 0.118 nan 8.240 nan 0.000 0.474 146 F N 3.232 123.227 119.950 0.075 0.000 2.385 146 F HA 0.507 5.034 4.527 0.000 0.000 0.360 146 F C 0.971 176.890 175.800 0.198 0.000 1.122 146 F CA -0.577 57.510 58.000 0.145 0.000 1.090 146 F CB 1.056 40.136 39.000 0.134 0.000 1.150 146 F HN 0.521 nan 8.300 nan 0.000 0.472 147 S N 3.288 119.172 115.700 0.307 0.000 2.564 147 S HA 0.722 5.192 4.470 0.000 0.000 0.274 147 S C -3.289 171.248 174.600 -0.106 0.000 1.124 147 S CA -2.115 56.214 58.200 0.214 0.000 0.869 147 S CB 2.432 65.777 63.200 0.242 0.000 1.105 147 S HN 0.101 nan 8.310 nan 0.000 0.472 148 P HA 0.273 nan 4.420 nan 0.000 0.269 148 P C 0.581 177.843 177.300 -0.063 0.000 1.209 148 P CA -0.474 62.377 63.100 -0.414 0.000 0.776 148 P CB 0.168 31.783 31.700 -0.142 0.000 0.876 149 C N 0.861 120.097 119.300 -0.105 0.000 2.403 149 C HA -0.179 4.281 4.460 0.000 0.000 0.277 149 C C 2.313 177.331 174.990 0.047 0.000 1.248 149 C CA 1.192 60.197 59.018 -0.022 0.000 1.762 149 C CB -2.033 25.653 27.740 -0.090 0.000 2.014 149 C HN 0.750 nan 8.230 nan 0.000 0.486 150 H N 0.221 119.360 119.070 0.114 0.000 2.456 150 H HA -0.087 4.469 4.556 0.000 0.000 0.296 150 H C 1.976 177.380 175.328 0.126 0.000 1.079 150 H CA 1.272 57.414 56.048 0.156 0.000 1.322 150 H CB -0.043 29.904 29.762 0.308 0.000 1.388 150 H HN 0.615 nan 8.280 nan 0.000 0.538 151 E N -0.423 119.928 120.200 0.250 0.000 2.489 151 E HA -0.019 4.331 4.350 0.000 0.000 0.193 151 E C 0.075 176.557 176.600 -0.197 0.000 1.057 151 E CA 0.151 56.592 56.400 0.069 0.000 0.866 151 E CB 0.451 30.208 29.700 0.095 0.000 0.916 151 E HN 0.653 nan 8.360 nan 0.000 0.500 152 H N 0.303 119.407 119.070 0.056 0.000 2.549 152 H HA 0.080 4.636 4.556 0.000 0.000 0.253 152 H C -0.571 174.815 175.328 0.096 0.000 1.170 152 H CA -0.193 55.880 56.048 0.042 0.000 0.943 152 H CB 0.536 30.290 29.762 -0.013 0.000 1.849 152 H HN 0.064 nan 8.280 nan 0.000 0.603 153 D N 0.437 120.923 120.400 0.143 0.000 2.911 153 D HA -0.149 4.492 4.640 0.000 0.000 0.227 153 D C 0.428 176.816 176.300 0.148 0.000 1.164 153 D CA 1.083 55.157 54.000 0.124 0.000 0.782 153 D CB -1.084 39.821 40.800 0.175 0.000 1.094 153 D HN 0.591 nan 8.370 nan 0.000 0.425 154 A N -0.835 122.033 122.820 0.079 0.000 2.389 154 A HA 0.894 5.214 4.320 0.000 0.000 0.293 154 A C -0.027 177.432 177.584 -0.208 0.000 1.186 154 A CA -0.044 52.010 52.037 0.028 0.000 0.828 154 A CB 2.068 21.120 19.000 0.087 0.000 1.369 154 A HN 0.566 nan 8.150 nan 0.000 0.446 155 V N -3.257 116.548 119.914 -0.183 0.000 3.049 155 V HA 0.929 5.049 4.120 0.000 0.000 0.309 155 V C -0.170 175.856 176.094 -0.114 0.000 1.148 155 V CA -0.087 62.074 62.300 -0.231 0.000 0.990 155 V CB 1.420 33.098 31.823 -0.241 0.000 1.039 155 V HN 1.719 nan 8.190 nan 0.000 0.430 156 G N 0.642 109.397 108.800 -0.076 0.000 2.666 156 G HA2 0.575 4.535 3.960 0.000 0.000 0.303 156 G HA3 0.575 4.535 3.960 0.000 0.000 0.303 156 G C -0.489 174.391 174.900 -0.033 0.000 1.412 156 G CA -0.014 45.060 45.100 -0.044 0.000 0.979 156 G HN 1.099 nan 8.290 nan 0.000 0.507 160 G N -0.303 108.488 108.800 -0.015 0.000 2.168 160 G HA2 -0.147 3.813 3.960 0.000 0.000 0.263 160 G HA3 -0.147 3.813 3.960 0.000 0.000 0.263 160 G C 0.421 175.335 174.900 0.024 0.000 0.977 160 G CA 0.432 45.532 45.100 -0.000 0.000 0.659 160 G HN 1.426 nan 8.290 nan 0.000 0.533 161 V N 1.011 120.952 119.914 0.045 0.000 2.673 161 V HA 0.454 4.575 4.120 0.000 0.000 0.303 161 V C 0.757 176.868 176.094 0.029 0.000 1.046 161 V CA 1.266 63.608 62.300 0.071 0.000 1.126 161 V CB 1.236 33.114 31.823 0.091 0.000 0.934 161 V HN 0.418 nan 8.190 nan 0.000 0.487 162 T N 3.566 118.131 114.554 0.019 0.000 3.143 162 T HA 0.439 4.789 4.350 0.000 0.000 0.312 162 T C -0.392 174.294 174.700 -0.023 0.000 0.986 162 T CA -0.535 61.559 62.100 -0.010 0.000 1.024 162 T CB 1.434 70.283 68.868 -0.031 0.000 1.030 162 T HN 0.909 nan 8.240 nan 0.000 0.448 163 S N 2.687 118.391 115.700 0.008 0.000 2.607 163 S HA 0.668 5.138 4.470 0.000 0.000 0.303 163 S C -2.082 172.526 174.600 0.015 0.000 1.086 163 S CA -1.743 56.469 58.200 0.019 0.000 0.995 163 S CB 1.773 65.040 63.200 0.112 0.000 1.084 163 S HN 0.230 nan 8.310 nan 0.000 0.507 164 P HA -0.141 nan 4.420 nan 0.000 0.219 164 P C 0.116 177.384 177.300 -0.055 0.000 1.153 164 P CA 1.476 64.529 63.100 -0.078 0.000 0.865 164 P CB -0.063 31.582 31.700 -0.092 0.000 0.788 168 V N -1.182 118.875 119.914 0.238 0.000 2.914 168 V HA 0.671 4.791 4.120 0.000 0.000 0.314 168 V C -0.604 175.664 176.094 0.291 0.000 1.084 168 V CA -1.167 61.291 62.300 0.264 0.000 0.963 168 V CB 1.668 33.596 31.823 0.176 0.000 1.025 168 V HN 0.774 nan 8.190 nan 0.000 0.432 169 H N 2.555 121.681 119.070 0.094 0.000 2.928 169 H HA 0.526 5.083 4.556 0.000 0.000 0.338 169 H C -0.241 174.993 175.328 -0.157 0.000 1.047 169 H CA 0.144 56.036 56.048 -0.260 0.000 1.435 169 H CB 0.333 29.932 29.762 -0.272 0.000 1.428 169 H HN 0.653 nan 8.280 nan 0.000 0.590 170 I N 4.604 125.068 120.570 -0.176 0.000 2.328 170 I HA 0.269 4.439 4.170 0.000 0.000 0.287 170 I C -0.279 175.696 176.117 -0.236 0.000 1.012 170 I CA -0.042 61.189 61.300 -0.115 0.000 1.195 170 I CB 0.655 38.651 38.000 -0.006 0.000 1.350 170 I HN 0.368 nan 8.210 nan 0.000 0.464 171 I N 6.521 126.904 120.570 -0.311 0.000 2.406 171 I HA 0.411 4.582 4.170 0.000 0.000 0.290 171 I C -0.286 175.678 176.117 -0.255 0.000 0.999 171 I CA -0.599 60.551 61.300 -0.250 0.000 1.124 171 I CB 1.818 39.677 38.000 -0.235 0.000 1.289 171 I HN 0.515 nan 8.210 nan 0.000 0.441 172 K N 4.788 125.086 120.400 -0.170 0.000 2.324 172 K HA 0.340 4.660 4.320 0.000 0.000 0.253 172 K C -0.601 175.948 176.600 -0.086 0.000 0.932 172 K CA -0.786 55.419 56.287 -0.137 0.000 0.799 172 K CB 1.403 33.839 32.500 -0.107 0.000 1.154 172 K HN 0.424 nan 8.250 nan 0.000 0.425 173 N N 3.047 121.713 118.700 -0.058 0.000 2.405 173 N HA -0.051 4.689 4.740 0.000 0.000 0.260 173 N C 0.485 175.977 175.510 -0.030 0.000 1.152 173 N CA 0.458 53.499 53.050 -0.015 0.000 0.948 173 N CB 1.205 39.722 38.487 0.051 0.000 1.111 173 N HN 0.775 nan 8.380 nan 0.000 0.485 174 E N 1.933 122.106 120.200 -0.045 0.000 2.204 174 E HA -0.125 4.225 4.350 0.000 0.000 0.195 174 E C 0.384 176.913 176.600 -0.118 0.000 0.990 174 E CA 1.143 57.504 56.400 -0.066 0.000 0.821 174 E CB 0.455 30.123 29.700 -0.054 0.000 0.750 174 E HN 0.609 nan 8.360 nan 0.000 0.477 175 T N -0.944 113.501 114.554 -0.181 0.000 2.939 175 T HA -0.026 4.324 4.350 0.000 0.000 0.254 175 T C 0.703 175.084 174.700 -0.532 0.000 1.041 175 T CA 0.761 62.601 62.100 -0.432 0.000 1.142 175 T CB -0.075 68.403 68.868 -0.650 0.000 0.874 175 T HN 0.220 nan 8.240 nan 0.000 0.452 176 Y N 0.090 120.386 120.300 -0.007 0.000 2.453 176 Y HA 0.456 5.006 4.550 0.000 0.000 0.247 176 Y C 1.808 177.700 175.900 -0.013 0.000 1.124 176 Y CA -0.528 57.569 58.100 -0.006 0.000 1.243 176 Y CB 0.308 38.768 38.460 -0.000 0.000 1.213 176 Y HN 0.303 nan 8.280 nan 0.000 0.523 177 G N 1.438 110.281 108.800 0.072 0.000 2.155 177 G HA2 -0.315 3.645 3.960 0.000 0.000 0.257 177 G HA3 -0.315 3.645 3.960 0.000 0.000 0.257 177 G C 0.018 174.931 174.900 0.023 0.000 0.983 177 G CA 0.358 45.476 45.100 0.028 0.000 0.676 177 G HN 0.462 nan 8.290 nan 0.000 0.528 178 N N -0.074 118.645 118.700 0.033 0.000 2.495 178 N HA 0.585 5.325 4.740 0.000 0.000 0.280 178 N C -0.542 174.924 175.510 -0.073 0.000 1.168 178 N CA 0.057 53.104 53.050 -0.005 0.000 0.978 178 N CB 1.382 39.877 38.487 0.012 0.000 1.191 178 N HN 0.021 nan 8.380 nan 0.000 0.497 179 T N 0.042 114.517 114.554 -0.131 0.000 2.855 179 T HA 0.714 5.064 4.350 0.000 0.000 0.281 179 T C -0.387 174.044 174.700 -0.448 0.000 1.007 179 T CA -0.548 61.364 62.100 -0.313 0.000 1.009 179 T CB 1.473 70.115 68.868 -0.376 0.000 0.983 179 T HN 0.809 nan 8.240 nan 0.000 0.455 180 A N 2.022 124.493 122.820 -0.582 0.000 2.387 180 A HA 0.982 5.302 4.320 0.000 0.000 0.303 180 A C -1.616 175.464 177.584 -0.840 0.000 1.145 180 A CA -0.764 50.947 52.037 -0.543 0.000 0.801 180 A CB 1.073 19.910 19.000 -0.273 0.000 1.342 180 A HN 0.689 nan 8.150 nan 0.000 0.440 181 F N -0.631 119.266 119.950 -0.088 0.000 2.601 181 F HA 0.693 5.220 4.527 0.000 0.000 0.309 181 F C 0.240 175.980 175.800 -0.100 0.000 1.089 181 F CA -0.198 57.758 58.000 -0.074 0.000 0.940 181 F CB 2.888 41.860 39.000 -0.047 0.000 1.273 181 F HN 0.686 nan 8.300 nan 0.000 0.450 182 T N -1.222 113.398 114.554 0.110 0.000 2.868 182 T HA 0.444 4.794 4.350 0.000 0.000 0.306 182 T C -0.827 173.974 174.700 0.169 0.000 1.224 182 T CA -1.232 60.887 62.100 0.031 0.000 1.012 182 T CB 1.777 70.548 68.868 -0.162 0.000 1.221 182 T HN 0.584 nan 8.240 nan 0.000 0.499 183 N N 0.665 119.435 118.700 0.115 0.000 2.327 183 N HA 0.402 5.143 4.740 0.000 0.000 0.257 183 N C -0.728 174.916 175.510 0.224 0.000 1.281 183 N CA -0.730 52.419 53.050 0.165 0.000 0.942 183 N CB -0.179 38.359 38.487 0.086 0.000 1.199 183 N HN 0.471 nan 8.380 nan 0.000 0.532 184 L N -0.568 120.780 121.223 0.208 0.000 2.375 184 L HA 0.340 4.680 4.340 0.000 0.000 0.268 184 L C 0.732 177.705 176.870 0.172 0.000 1.058 184 L CA -0.515 54.445 54.840 0.199 0.000 0.803 184 L CB 1.055 43.242 42.059 0.213 0.000 1.212 184 L HN 0.746 nan 8.230 nan 0.000 0.451 185 S N 1.134 116.919 115.700 0.142 0.000 2.481 185 S HA 0.124 4.594 4.470 0.000 0.000 0.282 185 S C 0.085 174.917 174.600 0.388 0.000 1.243 185 S CA -0.511 57.842 58.200 0.255 0.000 1.078 185 S CB -0.288 63.056 63.200 0.239 0.000 0.916 185 S HN 0.552 nan 8.310 nan 0.000 0.495 186 E N 3.295 123.685 120.200 0.317 0.000 2.409 186 E HA 0.106 4.456 4.350 0.000 0.000 0.257 186 E C 0.649 177.383 176.600 0.223 0.000 1.150 186 E CA -0.404 56.213 56.400 0.361 0.000 0.942 186 E CB 0.349 30.186 29.700 0.228 0.000 0.979 186 E HN 0.665 nan 8.360 nan 0.000 0.447 187 Q N 0.214 120.029 119.800 0.026 0.000 2.189 187 Q HA 0.178 4.518 4.340 0.000 0.000 0.223 187 Q C 0.104 176.074 176.000 -0.051 0.000 0.828 187 Q CA -0.043 55.675 55.803 -0.142 0.000 0.967 187 Q CB 0.698 29.039 28.738 -0.661 0.000 1.139 187 Q HN 0.456 nan 8.270 nan 0.000 0.497 188 L N -0.760 120.468 121.223 0.007 0.000 2.569 188 L HA 0.360 4.700 4.340 0.000 0.000 0.247 188 L C 1.401 178.316 176.870 0.075 0.000 1.135 188 L CA 0.264 55.118 54.840 0.023 0.000 0.812 188 L CB 0.319 42.391 42.059 0.021 0.000 1.431 188 L HN -0.003 nan 8.230 nan 0.000 0.499 189 A N -0.071 122.782 122.820 0.055 0.000 1.943 189 A HA -0.012 4.308 4.320 0.000 0.000 0.213 189 A C 1.120 178.748 177.584 0.074 0.000 1.181 189 A CA 0.491 52.561 52.037 0.055 0.000 0.653 189 A CB -0.029 18.974 19.000 0.005 0.000 0.833 189 A HN 0.572 nan 8.150 nan 0.000 0.451 190 K N 1.302 121.740 120.400 0.063 0.000 2.220 190 K HA 0.443 4.763 4.320 0.000 0.000 0.283 190 K C -1.659 175.005 176.600 0.107 0.000 1.098 190 K CA 0.153 56.483 56.287 0.072 0.000 0.928 190 K CB -0.009 32.517 32.500 0.044 0.000 1.214 190 K HN 0.122 nan 8.250 nan 0.000 0.442 191 V N 4.619 124.630 119.914 0.161 0.000 3.012 191 V HA 0.054 4.174 4.120 0.000 0.000 0.307 191 V C 0.729 176.910 176.094 0.145 0.000 1.166 191 V CA -0.744 61.653 62.300 0.161 0.000 0.974 191 V CB 1.942 33.888 31.823 0.204 0.000 1.040 191 V HN 0.713 nan 8.190 nan 0.000 0.428 192 L N 4.417 125.689 121.223 0.082 0.000 2.042 192 L HA -0.098 4.242 4.340 0.000 0.000 0.210 192 L C 2.552 179.432 176.870 0.016 0.000 1.076 192 L CA 2.534 57.405 54.840 0.051 0.000 0.749 192 L CB -0.464 41.606 42.059 0.018 0.000 0.893 192 L HN 0.866 nan 8.230 nan 0.000 0.432 193 R N -1.627 118.835 120.500 -0.063 0.000 2.293 193 R HA -0.167 4.173 4.340 0.000 0.000 0.219 193 R C 0.907 177.016 176.300 -0.319 0.000 1.091 193 R CA 1.551 57.528 56.100 -0.206 0.000 1.004 193 R CB -0.655 29.462 30.300 -0.305 0.000 0.865 193 R HN 0.363 nan 8.270 nan 0.000 0.469 194 F N -0.135 119.827 119.950 0.020 0.000 2.653 194 F HA 0.405 4.932 4.527 0.000 0.000 0.304 194 F C 1.462 177.271 175.800 0.016 0.000 1.092 194 F CA 0.142 58.148 58.000 0.011 0.000 1.279 194 F CB 1.345 40.344 39.000 -0.001 0.000 1.044 194 F HN 0.300 nan 8.300 nan 0.000 0.564 195 G N 0.230 109.122 108.800 0.153 0.000 2.176 195 G HA2 -0.110 3.850 3.960 0.000 0.000 0.232 195 G HA3 -0.110 3.850 3.960 0.000 0.000 0.232 195 G C 0.417 175.376 174.900 0.097 0.000 0.986 195 G CA -0.221 44.944 45.100 0.109 0.000 0.643 195 G HN 0.590 nan 8.290 nan 0.000 0.522 196 A N 0.379 123.265 122.820 0.110 0.000 2.440 196 A HA 0.611 4.931 4.320 0.000 0.000 0.251 196 A C 0.622 178.251 177.584 0.075 0.000 1.089 196 A CA 0.857 52.945 52.037 0.085 0.000 0.779 196 A CB 0.111 19.165 19.000 0.090 0.000 1.022 196 A HN 1.415 nan 8.150 nan 0.000 0.492 197 N N 1.176 119.915 118.700 0.065 0.000 2.622 197 N HA 0.134 4.874 4.740 0.000 0.000 0.293 197 N C -1.149 174.397 175.510 0.060 0.000 1.788 197 N CA -0.534 52.555 53.050 0.066 0.000 0.860 197 N CB 0.249 38.779 38.487 0.073 0.000 1.388 197 N HN 0.465 nan 8.380 nan 0.000 0.496 198 D N 0.299 120.731 120.400 0.054 0.000 2.352 198 D HA -0.050 4.590 4.640 0.000 0.000 0.238 198 D C 1.125 177.458 176.300 0.055 0.000 1.286 198 D CA -0.067 53.962 54.000 0.048 0.000 0.923 198 D CB 0.927 41.751 40.800 0.041 0.000 1.146 198 D HN 0.096 nan 8.370 nan 0.000 0.471 199 Q N 0.505 120.335 119.800 0.049 0.000 2.077 199 Q HA -0.168 4.172 4.340 0.000 0.000 0.206 199 Q C 2.191 178.225 176.000 0.056 0.000 0.989 199 Q CA 1.769 57.604 55.803 0.054 0.000 0.853 199 Q CB -0.722 28.042 28.738 0.043 0.000 0.907 199 Q HN 0.597 nan 8.270 nan 0.000 0.418 200 S N -0.653 115.074 115.700 0.045 0.000 2.368 200 S HA -0.169 4.302 4.470 0.000 0.000 0.226 200 S C 2.131 176.763 174.600 0.053 0.000 1.044 200 S CA 1.861 60.085 58.200 0.040 0.000 1.062 200 S CB -1.019 62.197 63.200 0.028 0.000 0.931 200 S HN 0.167 nan 8.310 nan 0.000 0.440 201 V N 1.544 121.493 119.914 0.059 0.000 2.332 201 V HA -0.125 3.995 4.120 0.000 0.000 0.248 201 V C 2.655 178.793 176.094 0.074 0.000 1.055 201 V CA 1.712 64.051 62.300 0.066 0.000 1.038 201 V CB -0.843 31.018 31.823 0.064 0.000 0.651 201 V HN 0.543 nan 8.190 nan 0.000 0.450 202 V N 0.122 120.091 119.914 0.091 0.000 2.427 202 V HA -0.230 3.890 4.120 0.000 0.000 0.248 202 V C 2.217 178.409 176.094 0.164 0.000 1.051 202 V CA 2.418 64.800 62.300 0.136 0.000 1.048 202 V CB -0.528 31.390 31.823 0.158 0.000 0.666 202 V HN 0.603 nan 8.190 nan 0.000 0.456 203 D N 0.133 120.610 120.400 0.127 0.000 2.106 203 D HA -0.256 4.384 4.640 0.000 0.000 0.191 203 D C 2.229 178.626 176.300 0.161 0.000 0.997 203 D CA 2.112 56.192 54.000 0.133 0.000 0.834 203 D CB -0.384 40.469 40.800 0.087 0.000 0.956 203 D HN 0.497 nan 8.370 nan 0.000 0.448 204 R N 0.592 121.163 120.500 0.119 0.000 2.091 204 R HA -0.093 4.247 4.340 0.000 0.000 0.238 204 R C 2.522 178.939 176.300 0.196 0.000 1.136 204 R CA 0.685 56.870 56.100 0.141 0.000 0.959 204 R CB -0.299 30.064 30.300 0.105 0.000 0.856 204 R HN 0.153 nan 8.270 nan 0.000 0.437 205 L N 0.585 121.868 121.223 0.099 0.000 2.079 205 L HA -0.217 4.123 4.340 0.000 0.000 0.210 205 L C 2.353 179.300 176.870 0.130 0.000 1.081 205 L CA 1.621 56.433 54.840 -0.047 0.000 0.752 205 L CB -0.413 41.431 42.059 -0.358 0.000 0.896 205 L HN 0.359 nan 8.230 nan 0.000 0.433 206 I N -2.280 118.474 120.570 0.307 0.000 2.353 206 I HA -0.218 3.952 4.170 0.000 0.000 0.248 206 I C 1.499 177.760 176.117 0.240 0.000 1.119 206 I CA 0.315 61.833 61.300 0.363 0.000 1.417 206 I CB -0.186 37.985 38.000 0.285 0.000 1.078 206 I HN 0.267 nan 8.210 nan 0.000 0.421 210 D N 0.446 120.800 120.400 -0.078 0.000 2.277 210 D HA 0.089 4.729 4.640 0.000 0.000 0.209 210 D C 1.519 177.706 176.300 -0.187 0.000 0.970 210 D CA 1.407 55.356 54.000 -0.085 0.000 0.874 210 D CB 1.069 41.842 40.800 -0.046 0.000 0.982 210 D HN 0.141 nan 8.370 nan 0.000 0.504 211 V N -0.907 118.740 119.914 -0.446 0.000 3.671 211 V HA 0.138 4.258 4.120 0.000 0.000 0.202 211 V C 1.894 177.480 176.094 -0.848 0.000 1.188 211 V CA -0.042 61.935 62.300 -0.538 0.000 1.325 211 V CB -0.748 30.715 31.823 -0.600 0.000 1.470 211 V HN 0.039 nan 8.190 nan 0.000 0.520 212 L N 2.392 122.850 121.223 -1.274 0.000 2.030 212 L HA -0.071 4.269 4.340 0.000 0.000 0.222 212 L C 2.325 178.670 176.870 -0.874 0.000 1.082 212 L CA 3.310 57.486 54.840 -1.107 0.000 0.785 212 L CB -1.436 39.920 42.059 -1.171 0.000 0.895 212 L HN 0.551 nan 8.230 nan 0.000 0.439 213 G N -0.961 107.296 108.800 -0.904 0.000 2.545 213 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 213 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 213 G C -0.521 173.703 174.900 -1.126 0.000 1.218 213 G CA 1.089 45.374 45.100 -1.358 0.000 0.787 213 G HN 0.423 nan 8.290 nan 0.000 0.571 214 P HA -0.111 nan 4.420 nan 0.000 0.216 214 P C 2.139 179.322 177.300 -0.195 0.000 1.153 214 P CA 0.705 63.677 63.100 -0.214 0.000 0.858 214 P CB -0.176 31.555 31.700 0.052 0.000 0.789 215 L N -1.241 119.557 121.223 -0.707 0.000 2.013 215 L HA -0.206 4.134 4.340 0.000 0.000 0.212 215 L C 2.056 178.642 176.870 -0.473 0.000 1.073 215 L CA 1.724 55.957 54.840 -1.011 0.000 0.753 215 L CB -0.758 40.467 42.059 -1.390 0.000 0.890 215 L HN -0.044 nan 8.230 nan 0.000 0.432 216 L N -0.401 120.515 121.223 -0.512 0.000 2.017 216 L HA -0.261 4.079 4.340 0.000 0.000 0.208 216 L C 2.521 179.335 176.870 -0.093 0.000 1.073 216 L CA 2.145 56.699 54.840 -0.476 0.000 0.745 216 L CB -1.603 39.821 42.059 -1.058 0.000 0.894 216 L HN 0.457 nan 8.230 nan 0.000 0.432 217 H N -0.243 118.794 119.070 -0.056 0.000 2.319 217 H HA -0.185 4.371 4.556 0.000 0.000 0.299 217 H C 1.777 177.184 175.328 0.131 0.000 1.092 217 H CA 2.278 58.425 56.048 0.164 0.000 1.302 217 H CB 0.127 30.010 29.762 0.202 0.000 1.373 217 H HN 0.292 nan 8.280 nan 0.000 0.497 218 D N 0.875 121.376 120.400 0.168 0.000 2.117 218 D HA -0.009 4.631 4.640 0.000 0.000 0.197 218 D C 1.262 177.685 176.300 0.204 0.000 0.987 218 D CA 1.163 55.266 54.000 0.171 0.000 0.829 218 D CB -0.790 40.202 40.800 0.319 0.000 0.961 218 D HN 0.566 nan 8.370 nan 0.000 0.460 222 F N 2.173 122.042 119.950 -0.136 0.000 2.725 222 F HA 0.531 5.058 4.527 0.000 0.000 0.303 222 F C 1.280 176.884 175.800 -0.326 0.000 1.167 222 F CA -0.315 57.613 58.000 -0.119 0.000 1.403 222 F CB 0.365 39.383 39.000 0.030 0.000 1.077 222 F HN 0.448 nan 8.300 nan 0.000 0.537 223 C N 2.400 121.511 119.300 -0.315 0.000 3.452 223 C HA 0.363 4.823 4.460 0.000 0.000 0.251 223 C C -1.519 173.325 174.990 -0.243 0.000 1.160 223 C CA -1.326 57.395 59.018 -0.496 0.000 1.328 223 C CB -0.411 26.706 27.740 -1.039 0.000 1.819 223 C HN 0.134 nan 8.230 nan 0.000 0.543 224 P HA -0.021 nan 4.420 nan 0.000 0.240 224 P C 1.259 178.517 177.300 -0.070 0.000 1.190 224 P CA 1.181 64.220 63.100 -0.101 0.000 0.781 224 P CB 0.153 31.808 31.700 -0.076 0.000 0.931 225 E N 0.568 120.735 120.200 -0.056 0.000 2.371 225 E HA 0.085 4.435 4.350 0.000 0.000 0.194 225 E C 1.016 177.599 176.600 -0.028 0.000 1.012 225 E CA 0.826 57.210 56.400 -0.027 0.000 0.860 225 E CB -0.913 28.790 29.700 0.005 0.000 0.811 225 E HN 0.150 nan 8.360 nan 0.000 0.502 226 G N 1.362 110.131 108.800 -0.051 0.000 2.846 226 G HA2 -0.230 3.730 3.960 0.000 0.000 0.660 226 G HA3 -0.230 3.730 3.960 0.000 0.000 0.660 226 G C -0.448 174.462 174.900 0.017 0.000 1.464 226 G CA -0.120 44.958 45.100 -0.037 0.000 0.891 226 G HN 0.241 nan 8.290 nan 0.000 0.552 227 I N 0.860 121.453 120.570 0.039 0.000 2.336 227 I HA 0.227 4.397 4.170 0.000 0.000 0.292 227 I C -0.122 176.035 176.117 0.066 0.000 0.991 227 I CA -0.576 60.776 61.300 0.087 0.000 1.227 227 I CB 1.622 39.700 38.000 0.130 0.000 1.366 227 I HN 0.541 nan 8.210 nan 0.000 0.466 228 D N 6.332 126.780 120.400 0.078 0.000 2.336 228 D HA 0.104 4.744 4.640 0.000 0.000 0.249 228 D C 0.463 176.827 176.300 0.107 0.000 1.213 228 D CA -0.194 53.847 54.000 0.069 0.000 0.870 228 D CB 1.304 42.138 40.800 0.056 0.000 1.076 228 D HN 0.248 nan 8.370 nan 0.000 0.483 229 L N 4.372 125.660 121.223 0.108 0.000 2.162 229 L HA 0.148 4.488 4.340 0.000 0.000 0.205 229 L C 2.333 179.301 176.870 0.164 0.000 1.086 229 L CA 0.925 55.889 54.840 0.207 0.000 0.778 229 L CB -0.773 41.387 42.059 0.168 0.000 0.928 229 L HN 0.501 nan 8.230 nan 0.000 0.446 230 R N -0.663 119.884 120.500 0.078 0.000 2.115 230 R HA -0.102 4.238 4.340 0.000 0.000 0.230 230 R C 1.070 177.383 176.300 0.022 0.000 1.111 230 R CA 0.378 56.504 56.100 0.044 0.000 0.976 230 R CB -0.188 30.150 30.300 0.062 0.000 0.870 230 R HN 0.129 nan 8.270 nan 0.000 0.445 234 S N 0.181 115.776 115.700 -0.176 0.000 2.406 234 S HA -0.356 4.114 4.470 0.000 0.000 0.242 234 S C 1.548 175.999 174.600 -0.250 0.000 1.079 234 S CA 2.726 60.822 58.200 -0.172 0.000 1.133 234 S CB -0.235 62.892 63.200 -0.121 0.000 1.005 234 S HN 0.627 nan 8.310 nan 0.000 0.443 235 Q N -0.181 119.517 119.800 -0.170 0.000 2.137 235 Q HA 0.145 4.485 4.340 0.000 0.000 0.198 235 Q C 2.534 178.502 176.000 -0.053 0.000 0.960 235 Q CA 0.991 56.729 55.803 -0.108 0.000 0.847 235 Q CB -0.306 28.416 28.738 -0.027 0.000 0.915 235 Q HN 0.616 nan 8.270 nan 0.000 0.448 236 A N 1.386 124.143 122.820 -0.106 0.000 1.892 236 A HA -0.188 4.132 4.320 0.000 0.000 0.218 236 A C 1.981 179.539 177.584 -0.045 0.000 1.188 236 A CA 1.188 53.169 52.037 -0.094 0.000 0.631 236 A CB -0.715 18.126 19.000 -0.265 0.000 0.822 236 A HN 0.298 nan 8.150 nan 0.000 0.447 237 L N -0.693 120.490 121.223 -0.066 0.000 2.456 237 L HA -0.058 4.282 4.340 0.000 0.000 0.224 237 L C 1.045 178.027 176.870 0.186 0.000 1.148 237 L CA 0.995 55.853 54.840 0.030 0.000 0.825 237 L CB -1.182 40.892 42.059 0.025 0.000 0.937 237 L HN 0.545 nan 8.230 nan 0.000 0.450 241 D N 0.419 120.845 120.400 0.045 0.000 2.440 241 D HA 0.572 5.212 4.640 0.000 0.000 0.258 241 D C 1.004 177.325 176.300 0.035 0.000 1.092 241 D CA -0.328 53.700 54.000 0.047 0.000 1.016 241 D CB 1.525 42.337 40.800 0.020 0.000 1.141 241 D HN 0.216 nan 8.370 nan 0.000 0.552 242 E N -1.683 118.550 120.200 0.054 0.000 2.702 242 E HA 0.209 4.559 4.350 0.000 0.000 0.225 242 E C 0.081 176.724 176.600 0.071 0.000 0.942 242 E CA -0.243 56.195 56.400 0.064 0.000 1.210 242 E CB -0.525 29.233 29.700 0.098 0.000 1.143 242 E HN 0.367 nan 8.360 nan 0.000 0.544 243 C N 0.540 119.872 119.300 0.052 0.000 4.417 243 C HA -0.202 4.258 4.460 0.000 0.000 0.284 243 C C 1.155 176.290 174.990 0.242 0.000 1.379 243 C CA 1.678 60.729 59.018 0.056 0.000 1.918 243 C CB -2.963 24.611 27.740 -0.276 0.000 1.280 243 C HN 0.862 nan 8.230 nan 0.000 0.783 244 H N -0.845 118.326 119.070 0.167 0.000 2.258 244 H HA 0.124 4.680 4.556 0.000 0.000 0.185 244 H C 1.892 177.358 175.328 0.231 0.000 0.986 244 H CA 0.379 56.543 56.048 0.194 0.000 1.166 244 H CB 0.142 29.992 29.762 0.147 0.000 1.161 244 H HN 0.283 nan 8.280 nan 0.000 0.420 245 N N 0.652 119.575 118.700 0.372 0.000 2.336 245 N HA -0.044 4.696 4.740 0.000 0.000 0.177 245 N C 0.476 176.133 175.510 0.245 0.000 1.018 245 N CA 0.482 53.687 53.050 0.258 0.000 0.878 245 N CB 0.485 39.040 38.487 0.114 0.000 0.997 245 N HN 0.250 nan 8.380 nan 0.000 0.433 246 R N 1.391 122.019 120.500 0.213 0.000 2.310 246 R HA 0.261 4.601 4.340 0.000 0.000 0.324 246 R C -0.651 175.774 176.300 0.209 0.000 0.955 246 R CA -0.232 55.982 56.100 0.190 0.000 0.830 246 R CB 0.515 30.897 30.300 0.136 0.000 1.154 246 R HN -0.109 nan 8.270 nan 0.000 0.458 247 N N 3.337 122.184 118.700 0.244 0.000 2.194 247 N HA 0.027 4.767 4.740 0.000 0.000 0.231 247 N C 1.017 176.679 175.510 0.253 0.000 1.247 247 N CA 0.195 53.415 53.050 0.283 0.000 0.884 247 N CB 1.115 39.793 38.487 0.319 0.000 1.146 247 N HN 0.362 nan 8.380 nan 0.000 0.516 248 V N 0.915 120.946 119.914 0.195 0.000 2.255 248 V HA -0.220 3.901 4.120 0.000 0.000 0.247 248 V C 2.613 178.806 176.094 0.164 0.000 1.051 248 V CA 2.267 64.666 62.300 0.165 0.000 1.018 248 V CB -0.969 30.930 31.823 0.125 0.000 0.641 248 V HN 0.255 nan 8.190 nan 0.000 0.445 249 A N 1.001 123.910 122.820 0.148 0.000 1.858 249 A HA -0.077 4.243 4.320 0.000 0.000 0.216 249 A C 2.466 180.165 177.584 0.190 0.000 1.190 249 A CA 2.111 54.229 52.037 0.135 0.000 0.617 249 A CB -1.488 17.570 19.000 0.097 0.000 0.827 249 A HN 0.550 nan 8.150 nan 0.000 0.443 250 G N -0.932 108.023 108.800 0.258 0.000 2.440 250 G HA2 -0.178 3.782 3.960 0.000 0.000 0.218 250 G HA3 -0.178 3.782 3.960 0.000 0.000 0.218 250 G C 1.842 177.014 174.900 0.454 0.000 1.154 250 G CA 1.416 46.814 45.100 0.496 0.000 0.767 250 G HN 0.485 nan 8.290 nan 0.000 0.552 251 S N 0.082 115.983 115.700 0.335 0.000 2.371 251 S HA -0.076 4.394 4.470 0.000 0.000 0.224 251 S C 2.564 177.303 174.600 0.231 0.000 1.029 251 S CA 1.630 59.992 58.200 0.270 0.000 0.978 251 S CB -0.327 63.017 63.200 0.241 0.000 0.833 251 S HN 0.462 nan 8.310 nan 0.000 0.466 252 T N 2.493 117.160 114.554 0.189 0.000 2.915 252 T HA 0.110 4.461 4.350 0.000 0.000 0.269 252 T C 1.639 176.422 174.700 0.140 0.000 1.071 252 T CA 0.710 62.893 62.100 0.138 0.000 1.132 252 T CB -0.228 68.705 68.868 0.109 0.000 0.878 252 T HN 0.242 nan 8.240 nan 0.000 0.479 253 L N 0.133 121.463 121.223 0.178 0.000 2.240 253 L HA 0.137 4.477 4.340 0.000 0.000 0.211 253 L C 2.360 179.341 176.870 0.185 0.000 1.106 253 L CA 0.672 55.614 54.840 0.170 0.000 0.793 253 L CB -0.292 41.884 42.059 0.195 0.000 0.927 253 L HN 0.247 nan 8.230 nan 0.000 0.446 254 L N -0.310 121.046 121.223 0.222 0.000 2.068 254 L HA -0.113 4.227 4.340 0.000 0.000 0.204 254 L C 2.603 179.593 176.870 0.201 0.000 1.076 254 L CA 1.246 56.219 54.840 0.222 0.000 0.753 254 L CB 0.002 42.199 42.059 0.230 0.000 0.910 254 L HN 0.237 nan 8.230 nan 0.000 0.439 255 V N -2.019 118.001 119.914 0.177 0.000 2.626 255 V HA -0.271 3.850 4.120 0.000 0.000 0.252 255 V C 2.123 178.269 176.094 0.087 0.000 1.067 255 V CA 1.842 64.209 62.300 0.111 0.000 1.081 255 V CB -0.552 31.306 31.823 0.060 0.000 0.686 255 V HN 0.600 nan 8.190 nan 0.000 0.468 256 Q N 0.322 120.168 119.800 0.077 0.000 2.083 256 Q HA -0.072 4.268 4.340 0.000 0.000 0.198 256 Q C 2.261 178.273 176.000 0.020 0.000 0.969 256 Q CA 1.819 57.643 55.803 0.036 0.000 0.838 256 Q CB -0.323 28.436 28.738 0.036 0.000 0.900 256 Q HN 0.759 nan 8.270 nan 0.000 0.436 257 A N 0.650 123.508 122.820 0.063 0.000 1.969 257 A HA -0.095 4.225 4.320 0.000 0.000 0.218 257 A C 1.995 179.596 177.584 0.028 0.000 1.169 257 A CA 0.795 52.865 52.037 0.054 0.000 0.635 257 A CB -0.484 18.600 19.000 0.140 0.000 0.810 257 A HN 0.425 nan 8.150 nan 0.000 0.445 258 L N -0.904 120.383 121.223 0.107 0.000 2.156 258 L HA -0.126 4.215 4.340 0.000 0.000 0.208 258 L C 2.731 179.618 176.870 0.029 0.000 1.095 258 L CA 1.465 56.394 54.840 0.147 0.000 0.770 258 L CB -0.807 41.343 42.059 0.153 0.000 0.914 258 L HN 0.329 nan 8.230 nan 0.000 0.439 259 T N 0.303 114.857 114.554 0.000 0.000 2.635 259 T HA -0.141 4.209 4.350 0.000 0.000 0.267 259 T C -0.372 174.283 174.700 -0.075 0.000 1.040 259 T CA 1.773 63.888 62.100 0.026 0.000 1.156 259 T CB -1.139 67.748 68.868 0.032 0.000 0.863 259 T HN 0.237 nan 8.240 nan 0.000 0.430 260 P HA -0.078 nan 4.420 nan 0.000 0.216 260 P C 0.308 177.469 177.300 -0.232 0.000 1.153 260 P CA 1.153 64.077 63.100 -0.293 0.000 0.858 260 P CB -0.216 31.185 31.700 -0.498 0.000 0.789 264 Q N 0.449 120.077 119.800 -0.287 0.000 2.415 264 Q HA 0.154 4.494 4.340 0.000 0.000 0.206 264 Q C 0.846 176.484 176.000 -0.604 0.000 0.946 264 Q CA 0.539 55.985 55.803 -0.595 0.000 0.951 264 Q CB 0.590 28.652 28.738 -1.127 0.000 1.026 264 Q HN 0.564 nan 8.270 nan 0.000 0.510 265 T N -0.317 114.108 114.554 -0.215 0.000 2.897 265 T HA 0.077 4.428 4.350 0.000 0.000 0.278 265 T C 0.115 174.879 174.700 0.108 0.000 0.981 265 T CA -0.597 61.539 62.100 0.059 0.000 0.973 265 T CB 0.893 69.857 68.868 0.159 0.000 1.092 265 T HN -0.047 nan 8.240 nan 0.000 0.543 266 D N 0.319 120.819 120.400 0.166 0.000 2.340 266 D HA 0.212 4.852 4.640 0.000 0.000 0.217 266 D C 0.004 176.273 176.300 -0.053 0.000 1.081 266 D CA 0.093 54.111 54.000 0.030 0.000 0.842 266 D CB -0.130 40.655 40.800 -0.025 0.000 0.934 266 D HN 0.364 nan 8.370 nan 0.000 0.511 267 F N 1.063 120.983 119.950 -0.049 0.000 2.506 267 F HA 0.019 4.546 4.527 0.000 0.000 0.351 267 F C 1.583 177.346 175.800 -0.062 0.000 1.136 267 F CA -0.169 57.787 58.000 -0.073 0.000 1.298 267 F CB 0.566 39.495 39.000 -0.118 0.000 1.145 267 F HN -0.286 nan 8.300 nan 0.000 0.593 268 S N 2.723 118.470 115.700 0.079 0.000 2.593 268 S HA 0.134 4.605 4.470 0.000 0.000 0.269 268 S C 1.533 176.164 174.600 0.051 0.000 1.334 268 S CA -0.944 57.280 58.200 0.040 0.000 1.015 268 S CB 0.745 63.956 63.200 0.019 0.000 0.912 268 S HN 0.599 nan 8.310 nan 0.000 0.541 269 R N 2.400 122.924 120.500 0.041 0.000 2.083 269 R HA -0.150 4.190 4.340 0.000 0.000 0.237 269 R C 2.184 178.513 176.300 0.049 0.000 1.137 269 R CA 1.830 57.960 56.100 0.050 0.000 0.951 269 R CB -1.438 28.895 30.300 0.054 0.000 0.851 269 R HN 0.940 nan 8.270 nan 0.000 0.434 270 E N 1.443 121.671 120.200 0.046 0.000 2.147 270 E HA -0.271 4.080 4.350 0.000 0.000 0.199 270 E C 1.791 178.421 176.600 0.050 0.000 1.005 270 E CA 1.594 58.023 56.400 0.049 0.000 0.810 270 E CB 0.034 29.760 29.700 0.043 0.000 0.736 270 E HN 0.516 nan 8.360 nan 0.000 0.460 271 Q N -0.635 119.193 119.800 0.047 0.000 2.212 271 Q HA -0.071 4.269 4.340 0.000 0.000 0.199 271 Q C 2.194 178.149 176.000 -0.074 0.000 0.950 271 Q CA 0.452 56.279 55.803 0.040 0.000 0.863 271 Q CB 0.132 28.936 28.738 0.110 0.000 0.944 271 Q HN 0.249 nan 8.270 nan 0.000 0.465 272 L N 1.363 122.512 121.223 -0.123 0.000 2.093 272 L HA -0.166 4.175 4.340 0.000 0.000 0.208 272 L C 2.209 178.836 176.870 -0.404 0.000 1.085 272 L CA 1.666 56.278 54.840 -0.381 0.000 0.755 272 L CB -0.867 41.050 42.059 -0.238 0.000 0.904 272 L HN 0.131 nan 8.230 nan 0.000 0.435 273 K N 0.495 120.870 120.400 -0.041 0.000 2.009 273 K HA -0.235 4.085 4.320 0.000 0.000 0.210 273 K C 1.946 178.600 176.600 0.090 0.000 1.049 273 K CA 2.016 58.378 56.287 0.124 0.000 0.929 273 K CB 0.008 32.582 32.500 0.123 0.000 0.714 273 K HN 0.627 nan 8.250 nan 0.000 0.440 274 E N -0.053 120.183 120.200 0.060 0.000 2.208 274 E HA -0.092 4.258 4.350 0.000 0.000 0.193 274 E C 1.862 178.540 176.600 0.130 0.000 0.988 274 E CA 0.787 57.245 56.400 0.097 0.000 0.828 274 E CB -0.119 29.651 29.700 0.116 0.000 0.763 274 E HN 0.001 nan 8.360 nan 0.000 0.478 275 V N 0.651 120.584 119.914 0.032 0.000 2.515 275 V HA -0.205 3.915 4.120 0.000 0.000 0.250 275 V C 1.856 177.929 176.094 -0.034 0.000 1.058 275 V CA 1.540 63.833 62.300 -0.013 0.000 1.064 275 V CB -0.629 31.010 31.823 -0.307 0.000 0.675 275 V HN 0.261 nan 8.190 nan 0.000 0.461 276 F N 0.463 120.446 119.950 0.054 0.000 2.186 276 F HA -0.093 4.434 4.527 0.000 0.000 0.299 276 F C 2.390 178.211 175.800 0.034 0.000 1.090 276 F CA 1.433 59.443 58.000 0.018 0.000 1.307 276 F CB -0.751 38.248 39.000 -0.001 0.000 1.019 276 F HN 0.178 nan 8.300 nan 0.000 0.489 277 E N -0.280 120.058 120.200 0.229 0.000 2.085 277 E HA -0.267 4.083 4.350 0.000 0.000 0.194 277 E C 2.139 178.803 176.600 0.107 0.000 0.994 277 E CA 1.396 57.876 56.400 0.133 0.000 0.801 277 E CB -0.359 29.395 29.700 0.091 0.000 0.743 277 E HN 0.372 nan 8.360 nan 0.000 0.453 278 F N 0.555 120.487 119.950 -0.030 0.000 2.146 278 F HA -0.114 4.413 4.527 0.000 0.000 0.298 278 F C 1.740 177.517 175.800 -0.038 0.000 1.096 278 F CA 1.161 59.123 58.000 -0.063 0.000 1.275 278 F CB 0.023 38.984 39.000 -0.065 0.000 1.008 278 F HN -0.023 nan 8.300 nan 0.000 0.480 279 L N -0.470 120.804 121.223 0.086 0.000 2.217 279 L HA -0.032 4.308 4.340 0.000 0.000 0.211 279 L C 2.212 179.038 176.870 -0.072 0.000 1.107 279 L CA 1.098 55.879 54.840 -0.098 0.000 0.783 279 L CB -0.923 41.057 42.059 -0.131 0.000 0.919 279 L HN 0.316 nan 8.230 nan 0.000 0.442 280 G N -1.466 107.326 108.800 -0.014 0.000 3.434 280 G HA2 0.012 3.972 3.960 0.000 0.000 0.258 280 G HA3 0.012 3.972 3.960 0.000 0.000 0.258 280 G C 1.322 176.207 174.900 -0.026 0.000 1.128 280 G CA 0.491 45.589 45.100 -0.002 0.000 0.792 280 G HN 0.371 nan 8.290 nan 0.000 0.539 281 S N -0.782 114.866 115.700 -0.088 0.000 2.522 281 S HA 0.259 4.729 4.470 0.000 0.000 0.227 281 S C 0.937 175.500 174.600 -0.063 0.000 0.986 281 S CA 0.452 58.597 58.200 -0.092 0.000 0.929 281 S CB 0.221 63.323 63.200 -0.162 0.000 0.769 281 S HN 0.416 nan 8.310 nan 0.000 0.529 282 S N 0.979 116.654 115.700 -0.042 0.000 2.547 282 S HA 0.388 4.858 4.470 0.000 0.000 0.270 282 S C -1.171 173.489 174.600 0.099 0.000 1.150 282 S CA -0.319 57.901 58.200 0.033 0.000 0.850 282 S CB 1.484 64.707 63.200 0.038 0.000 1.118 282 S HN 0.245 nan 8.310 nan 0.000 0.461 283 D N 1.628 122.116 120.400 0.147 0.000 2.336 283 D HA 0.032 4.672 4.640 0.000 0.000 0.228 283 D C 0.521 176.981 176.300 0.266 0.000 1.120 283 D CA 0.046 54.156 54.000 0.183 0.000 0.839 283 D CB -0.314 40.581 40.800 0.158 0.000 0.932 283 D HN 0.525 nan 8.370 nan 0.000 0.509 284 Y N -0.233 120.147 120.300 0.133 0.000 2.457 284 Y HA 0.203 4.753 4.550 0.000 0.000 0.263 284 Y C 1.178 177.156 175.900 0.130 0.000 1.164 284 Y CA -0.876 57.304 58.100 0.133 0.000 1.274 284 Y CB -0.262 38.266 38.460 0.113 0.000 1.097 284 Y HN -0.062 nan 8.280 nan 0.000 0.523 285 F N 0.759 120.691 119.950 -0.031 0.000 2.192 285 F HA -0.232 4.295 4.527 0.000 0.000 0.301 285 F C 2.413 178.094 175.800 -0.198 0.000 1.079 285 F CA 1.957 59.910 58.000 -0.077 0.000 1.303 285 F CB -0.417 38.588 39.000 0.008 0.000 1.024 285 F HN 0.142 nan 8.300 nan 0.000 0.494 286 S N -0.791 114.701 115.700 -0.346 0.000 2.575 286 S HA 0.179 4.649 4.470 0.000 0.000 0.215 286 S C 2.243 176.297 174.600 -0.909 0.000 0.966 286 S CA 0.206 58.013 58.200 -0.655 0.000 0.911 286 S CB -0.845 62.124 63.200 -0.385 0.000 0.780 286 S HN 0.392 nan 8.310 nan 0.000 0.514 287 G N 3.312 111.649 108.800 -0.772 0.000 2.514 287 G HA2 -0.155 3.805 3.960 0.000 0.000 0.217 287 G HA3 -0.155 3.805 3.960 0.000 0.000 0.217 287 G C -0.645 173.904 174.900 -0.586 0.000 1.198 287 G CA 1.111 45.789 45.100 -0.702 0.000 0.780 287 G HN 0.517 nan 8.290 nan 0.000 0.565 288 P HA -0.070 nan 4.420 nan 0.000 0.216 288 P C 2.058 178.947 177.300 -0.686 0.000 1.150 288 P CA 1.945 64.742 63.100 -0.506 0.000 0.843 288 P CB -0.313 31.140 31.700 -0.412 0.000 0.787 289 T N -1.893 112.107 114.554 -0.924 0.000 2.720 289 T HA -0.179 4.171 4.350 0.000 0.000 0.268 289 T C 0.804 175.100 174.700 -0.675 0.000 1.037 289 T CA 1.015 62.516 62.100 -0.997 0.000 1.144 289 T CB -0.769 67.429 68.868 -1.116 0.000 0.864 289 T HN 0.195 nan 8.240 nan 0.000 0.444 293 A N 1.576 124.293 122.820 -0.171 0.000 1.851 293 A HA 0.309 4.629 4.320 0.000 0.000 0.216 293 A C 2.781 180.226 177.584 -0.231 0.000 1.195 293 A CA 3.000 54.950 52.037 -0.146 0.000 0.622 293 A CB -1.073 17.905 19.000 -0.038 0.000 0.831 293 A HN 1.380 nan 8.150 nan 0.000 0.444 294 A N -0.248 122.398 122.820 -0.290 0.000 1.908 294 A HA -0.209 4.111 4.320 0.000 0.000 0.218 294 A C 2.076 179.596 177.584 -0.105 0.000 1.181 294 A CA 2.620 54.459 52.037 -0.330 0.000 0.627 294 A CB -0.462 18.411 19.000 -0.213 0.000 0.818 294 A HN 0.509 nan 8.150 nan 0.000 0.445 295 K N 0.022 120.366 120.400 -0.094 0.000 2.057 295 K HA -0.157 4.163 4.320 0.000 0.000 0.207 295 K C 1.970 178.536 176.600 -0.057 0.000 1.049 295 K CA 1.868 58.120 56.287 -0.058 0.000 0.931 295 K CB -1.325 31.102 32.500 -0.121 0.000 0.714 295 K HN 0.481 nan 8.250 nan 0.000 0.440 296 C N 0.106 119.350 119.300 -0.093 0.000 2.432 296 C HA 0.070 4.530 4.460 0.000 0.000 0.277 296 C C 2.616 177.602 174.990 -0.006 0.000 1.249 296 C CA 1.295 60.269 59.018 -0.075 0.000 1.725 296 C CB -1.324 26.352 27.740 -0.107 0.000 2.028 296 C HN 0.589 nan 8.230 nan 0.000 0.477 297 A N 0.496 123.323 122.820 0.012 0.000 1.845 297 A HA -0.014 4.306 4.320 0.000 0.000 0.215 297 A C 2.073 179.728 177.584 0.117 0.000 1.195 297 A CA 1.650 53.756 52.037 0.115 0.000 0.616 297 A CB -0.872 18.266 19.000 0.229 0.000 0.832 297 A HN 0.509 nan 8.150 nan 0.000 0.443 298 L N 0.581 121.878 121.223 0.124 0.000 2.021 298 L HA -0.238 4.102 4.340 0.000 0.000 0.215 298 L C 1.931 178.833 176.870 0.053 0.000 1.074 298 L CA 2.302 57.200 54.840 0.097 0.000 0.760 298 L CB -1.669 40.447 42.059 0.095 0.000 0.889 298 L HN 0.389 nan 8.230 nan 0.000 0.433 299 D N -0.670 119.747 120.400 0.029 0.000 2.221 299 D HA -0.141 4.499 4.640 0.000 0.000 0.204 299 D C 2.091 178.408 176.300 0.029 0.000 0.982 299 D CA 1.298 55.311 54.000 0.021 0.000 0.857 299 D CB 0.022 40.821 40.800 -0.001 0.000 0.934 299 D HN 0.372 nan 8.370 nan 0.000 0.475 300 A N 0.074 122.894 122.820 0.000 0.000 2.119 300 A HA 0.184 4.504 4.320 0.000 0.000 0.216 300 A C 2.151 179.641 177.584 -0.157 0.000 1.152 300 A CA 1.210 53.192 52.037 -0.091 0.000 0.708 300 A CB -0.270 18.672 19.000 -0.095 0.000 0.805 300 A HN 0.261 nan 8.150 nan 0.000 0.460 301 G N -2.002 106.764 108.800 -0.057 0.000 3.042 301 G HA2 0.129 4.089 3.960 0.000 0.000 0.212 301 G HA3 0.129 4.089 3.960 0.000 0.000 0.212 301 G C 0.474 175.384 174.900 0.016 0.000 1.166 301 G CA -0.170 44.902 45.100 -0.046 0.000 0.767 301 G HN 0.638 nan 8.290 nan 0.000 0.546 302 H N 0.986 120.011 119.070 -0.076 0.000 2.505 302 H HA 0.149 4.705 4.556 0.000 0.000 0.351 302 H C 0.166 175.451 175.328 -0.071 0.000 1.151 302 H CA -0.425 55.583 56.048 -0.067 0.000 1.339 302 H CB 0.506 30.231 29.762 -0.061 0.000 1.483 302 H HN 0.127 nan 8.280 nan 0.000 0.558 303 N N 2.175 120.502 118.700 -0.622 0.000 2.771 303 N HA -0.168 4.572 4.740 0.000 0.000 0.249 303 N C -1.272 174.113 175.510 -0.208 0.000 1.069 303 N CA 0.428 53.242 53.050 -0.393 0.000 0.688 303 N CB -1.396 36.944 38.487 -0.246 0.000 0.928 303 N HN 0.190 nan 8.380 nan 0.000 0.551 304 V N 0.621 120.425 119.914 -0.184 0.000 2.334 304 V HA 0.155 4.275 4.120 0.000 0.000 0.281 304 V C 0.890 176.919 176.094 -0.110 0.000 1.016 304 V CA -0.787 61.439 62.300 -0.123 0.000 0.832 304 V CB 1.719 33.480 31.823 -0.103 0.000 0.999 304 V HN 0.268 nan 8.190 nan 0.000 0.439 305 E N 5.549 125.694 120.200 -0.091 0.000 2.708 305 E HA -0.143 4.207 4.350 0.000 0.000 0.260 305 E C 0.752 177.312 176.600 -0.067 0.000 0.937 305 E CA 0.814 57.169 56.400 -0.075 0.000 0.953 305 E CB 0.110 29.776 29.700 -0.057 0.000 0.915 305 E HN 0.762 nan 8.360 nan 0.000 0.487 306 N N 1.069 119.731 118.700 -0.063 0.000 2.972 306 N HA -0.220 4.520 4.740 0.000 0.000 0.225 306 N C -0.381 175.093 175.510 -0.060 0.000 0.883 306 N CA 1.281 54.297 53.050 -0.055 0.000 1.010 306 N CB -1.423 37.035 38.487 -0.049 0.000 1.052 306 N HN 0.430 nan 8.380 nan 0.000 0.598 307 S N 0.844 116.503 115.700 -0.069 0.000 2.528 307 S HA 0.329 4.799 4.470 0.000 0.000 0.277 307 S C 1.252 175.822 174.600 -0.050 0.000 1.297 307 S CA 0.613 58.776 58.200 -0.062 0.000 1.052 307 S CB 0.794 63.955 63.200 -0.065 0.000 0.917 307 S HN 0.332 nan 8.310 nan 0.000 0.492 308 T N 3.335 117.867 114.554 -0.036 0.000 3.251 308 T HA 0.373 4.723 4.350 0.000 0.000 0.259 308 T C 0.392 175.098 174.700 0.009 0.000 0.998 308 T CA -0.427 61.661 62.100 -0.019 0.000 0.905 308 T CB -0.695 68.166 68.868 -0.011 0.000 1.067 308 T HN 0.565 nan 8.240 nan 0.000 0.569 309 I N 1.967 122.541 120.570 0.008 0.000 2.395 309 I HA 0.241 4.411 4.170 0.000 0.000 0.289 309 I C 0.254 176.404 176.117 0.054 0.000 1.023 309 I CA -1.093 60.227 61.300 0.034 0.000 1.350 309 I CB 1.500 39.513 38.000 0.021 0.000 1.409 309 I HN -0.008 nan 8.210 nan 0.000 0.507 310 V N 5.762 125.723 119.914 0.078 0.000 2.485 310 V HA -0.008 4.112 4.120 0.000 0.000 0.287 310 V C 1.293 177.424 176.094 0.061 0.000 1.022 310 V CA 0.353 62.698 62.300 0.076 0.000 1.067 310 V CB 0.786 32.680 31.823 0.119 0.000 0.967 310 V HN 0.963 nan 8.190 nan 0.000 0.479 311 T N 0.018 114.600 114.554 0.046 0.000 3.085 311 T HA 0.286 4.636 4.350 0.000 0.000 0.264 311 T C 0.482 175.142 174.700 -0.067 0.000 1.019 311 T CA 0.017 62.127 62.100 0.016 0.000 0.910 311 T CB 0.267 69.178 68.868 0.071 0.000 1.059 311 T HN 0.619 nan 8.240 nan 0.000 0.542 315 R N 1.007 121.265 120.500 -0.403 0.000 2.707 315 R HA 0.620 4.960 4.340 0.000 0.000 0.272 315 R C -1.183 175.040 176.300 -0.128 0.000 1.011 315 R CA -0.232 55.679 56.100 -0.315 0.000 0.893 315 R CB 1.203 31.344 30.300 -0.264 0.000 1.233 315 R HN 1.044 nan 8.270 nan 0.000 0.464 316 N N -0.784 117.863 118.700 -0.089 0.000 2.365 316 N HA 0.183 4.923 4.740 0.000 0.000 0.257 316 N C 0.785 176.268 175.510 -0.045 0.000 1.287 316 N CA 0.058 53.079 53.050 -0.049 0.000 0.882 316 N CB 1.005 39.456 38.487 -0.060 0.000 1.250 316 N HN 1.035 nan 8.380 nan 0.000 0.507 317 G N -1.101 107.686 108.800 -0.021 0.000 2.205 317 G HA2 -0.312 3.648 3.960 0.000 0.000 0.261 317 G HA3 -0.312 3.648 3.960 0.000 0.000 0.261 317 G C 0.491 175.383 174.900 -0.014 0.000 0.980 317 G CA 0.603 45.699 45.100 -0.008 0.000 0.632 317 G HN 0.325 nan 8.290 nan 0.000 0.533 318 V N -0.717 119.182 119.914 -0.025 0.000 3.159 318 V HA 0.356 4.476 4.120 0.000 0.000 0.234 318 V C 0.829 176.926 176.094 0.005 0.000 1.313 318 V CA 1.226 63.512 62.300 -0.023 0.000 1.271 318 V CB 0.855 32.642 31.823 -0.060 0.000 1.053 318 V HN 0.369 nan 8.190 nan 0.000 0.476 319 E N -0.557 119.641 120.200 -0.004 0.000 2.312 319 E HA 0.484 4.834 4.350 0.000 0.000 0.267 319 E C -1.868 174.770 176.600 0.064 0.000 0.894 319 E CA -0.656 55.766 56.400 0.036 0.000 0.773 319 E CB 3.091 32.784 29.700 -0.012 0.000 1.241 319 E HN 0.191 nan 8.360 nan 0.000 0.432 320 F N 0.537 120.494 119.950 0.011 0.000 2.421 320 F HA 0.605 5.132 4.527 0.000 0.000 0.337 320 F C 0.212 176.039 175.800 0.045 0.000 1.105 320 F CA -0.014 58.006 58.000 0.033 0.000 1.049 320 F CB 1.612 40.646 39.000 0.057 0.000 1.139 320 F HN 0.452 nan 8.300 nan 0.000 0.479 321 G N 6.309 115.135 108.800 0.043 0.000 2.719 321 G HA2 0.588 4.549 3.960 0.000 0.000 0.298 321 G HA3 0.588 4.549 3.960 0.000 0.000 0.298 321 G C -1.736 173.357 174.900 0.322 0.000 1.433 321 G CA -0.697 44.537 45.100 0.223 0.000 1.034 321 G HN 0.864 nan 8.290 nan 0.000 0.517 322 I N -1.320 119.481 120.570 0.386 0.000 3.042 322 I HA 0.863 5.033 4.170 0.000 0.000 0.310 322 I C -0.799 175.411 176.117 0.155 0.000 1.117 322 I CA -1.581 59.849 61.300 0.217 0.000 1.003 322 I CB 2.602 40.657 38.000 0.091 0.000 1.228 322 I HN 0.359 nan 8.210 nan 0.000 0.443 323 R N 2.264 122.744 120.500 -0.032 0.000 2.750 323 R HA 0.773 5.113 4.340 0.000 0.000 0.281 323 R C -1.194 175.149 176.300 0.072 0.000 0.972 323 R CA -1.006 55.064 56.100 -0.050 0.000 0.912 323 R CB 2.740 32.808 30.300 -0.387 0.000 1.187 323 R HN 0.687 nan 8.270 nan 0.000 0.464 324 V N -1.176 118.834 119.914 0.159 0.000 2.769 324 V HA 0.352 4.472 4.120 0.000 0.000 0.312 324 V C 0.974 177.115 176.094 0.078 0.000 1.061 324 V CA -0.579 61.779 62.300 0.096 0.000 0.931 324 V CB 2.011 33.833 31.823 -0.002 0.000 1.010 324 V HN 0.889 nan 8.190 nan 0.000 0.433 325 S N 3.593 119.312 115.700 0.031 0.000 2.359 325 S HA -0.072 4.398 4.470 0.000 0.000 0.224 325 S C 1.794 176.259 174.600 -0.226 0.000 1.035 325 S CA 2.412 60.535 58.200 -0.129 0.000 1.018 325 S CB -0.930 62.232 63.200 -0.063 0.000 0.876 325 S HN 1.561 nan 8.310 nan 0.000 0.448 326 G N 0.056 108.784 108.800 -0.120 0.000 2.625 326 G HA2 -0.010 3.950 3.960 0.000 0.000 0.214 326 G HA3 -0.010 3.950 3.960 0.000 0.000 0.214 326 G C 1.206 176.042 174.900 -0.107 0.000 1.132 326 G CA 0.599 45.632 45.100 -0.112 0.000 0.782 326 G HN 0.529 nan 8.290 nan 0.000 0.538 327 I N 0.003 120.515 120.570 -0.097 0.000 2.810 327 I HA 0.394 4.564 4.170 0.000 0.000 0.262 327 I C 1.417 177.473 176.117 -0.101 0.000 1.131 327 I CA 1.231 62.487 61.300 -0.073 0.000 1.453 327 I CB -0.232 37.788 38.000 0.032 0.000 1.161 327 I HN 0.349 nan 8.210 nan 0.000 0.444 328 G N -0.279 108.415 108.800 -0.176 0.000 2.795 328 G HA2 0.333 4.293 3.960 0.000 0.000 0.664 328 G HA3 0.333 4.293 3.960 0.000 0.000 0.664 328 G C 0.592 175.510 174.900 0.031 0.000 1.381 328 G CA -0.441 44.497 45.100 -0.270 0.000 0.853 328 G HN 1.344 nan 8.290 nan 0.000 0.545 329 G N 0.141 109.006 108.800 0.108 0.000 2.596 329 G HA2 -0.213 3.747 3.960 0.000 0.000 0.295 329 G HA3 -0.213 3.747 3.960 0.000 0.000 0.295 329 G C 0.570 175.480 174.900 0.016 0.000 1.240 329 G CA 0.949 46.103 45.100 0.091 0.000 0.985 329 G HN 1.881 nan 8.290 nan 0.000 0.555 330 N N 0.880 119.527 118.700 -0.089 0.000 2.389 330 N HA 0.138 4.878 4.740 0.000 0.000 0.260 330 N C -0.017 175.275 175.510 -0.363 0.000 1.191 330 N CA -0.102 52.775 53.050 -0.288 0.000 0.885 330 N CB 0.098 38.547 38.487 -0.064 0.000 1.162 330 N HN 0.564 nan 8.380 nan 0.000 0.512 331 H N 0.010 118.884 119.070 -0.326 0.000 3.017 331 H HA 0.029 4.585 4.556 0.000 0.000 0.276 331 H C -0.680 174.354 175.328 -0.490 0.000 1.062 331 H CA 0.139 56.000 56.048 -0.311 0.000 1.486 331 H CB 0.160 29.795 29.762 -0.211 0.000 1.507 331 H HN 0.142 nan 8.280 nan 0.000 0.508 332 W N 5.485 126.611 121.300 -0.289 0.000 2.551 332 W HA 0.324 4.984 4.660 0.000 0.000 0.330 332 W C -0.700 175.570 176.519 -0.415 0.000 1.063 332 W CA -0.665 56.550 57.345 -0.216 0.000 1.222 332 W CB 0.906 30.276 29.460 -0.149 0.000 1.349 332 W HN 0.424 nan 8.180 nan 0.000 0.536 333 F N 2.056 122.194 119.950 0.314 0.000 2.467 333 F HA 0.542 5.069 4.527 0.000 0.000 0.336 333 F C 0.442 176.349 175.800 0.177 0.000 1.123 333 F CA -0.916 57.200 58.000 0.193 0.000 0.964 333 F CB 1.654 40.707 39.000 0.089 0.000 1.136 333 F HN 0.083 nan 8.300 nan 0.000 0.447 334 T N -0.123 114.597 114.554 0.276 0.000 2.861 334 T HA 0.909 5.259 4.350 0.000 0.000 0.287 334 T C -0.283 174.516 174.700 0.165 0.000 1.003 334 T CA -0.853 61.361 62.100 0.190 0.000 0.977 334 T CB 1.829 70.753 68.868 0.094 0.000 0.996 334 T HN 0.850 nan 8.240 nan 0.000 0.448 335 G N 1.362 110.266 108.800 0.173 0.000 2.866 335 G HA2 0.764 4.724 3.960 0.000 0.000 0.289 335 G HA3 0.764 4.724 3.960 0.000 0.000 0.289 335 G C -3.330 171.648 174.900 0.131 0.000 1.396 335 G CA -1.901 43.279 45.100 0.134 0.000 0.848 335 G HN 0.611 nan 8.290 nan 0.000 0.515 336 P HA 0.403 nan 4.420 nan 0.000 0.276 336 P C -0.002 177.373 177.300 0.125 0.000 1.243 336 P CA 0.029 63.181 63.100 0.086 0.000 0.768 336 P CB 1.145 32.879 31.700 0.056 0.000 0.856 337 A N 3.982 126.888 122.820 0.142 0.000 2.425 337 A HA 0.234 4.554 4.320 0.000 0.000 0.242 337 A C 0.275 177.930 177.584 0.118 0.000 1.077 337 A CA 0.008 52.163 52.037 0.195 0.000 0.781 337 A CB -0.042 19.053 19.000 0.158 0.000 1.020 337 A HN 0.455 nan 8.150 nan 0.000 0.494 338 Q N 0.542 120.414 119.800 0.120 0.000 2.241 338 Q HA 0.365 4.705 4.340 0.000 0.000 0.262 338 Q C -0.304 175.727 176.000 0.051 0.000 1.014 338 Q CA -0.566 55.275 55.803 0.062 0.000 0.885 338 Q CB 1.092 29.851 28.738 0.035 0.000 1.311 338 Q HN 0.776 nan 8.270 nan 0.000 0.461 339 R N -0.056 120.459 120.500 0.025 0.000 2.641 339 R HA 0.349 4.689 4.340 0.000 0.000 0.269 339 R C -0.337 175.970 176.300 0.012 0.000 1.074 339 R CA -0.389 55.717 56.100 0.011 0.000 1.133 339 R CB 0.268 30.566 30.300 -0.003 0.000 1.029 339 R HN 0.237 nan 8.270 nan 0.000 0.488 340 V N 4.125 124.039 119.914 0.000 0.000 2.328 340 V HA 0.301 4.421 4.120 0.000 0.000 0.278 340 V C 0.261 176.339 176.094 -0.026 0.000 1.021 340 V CA -0.766 61.530 62.300 -0.007 0.000 0.838 340 V CB 0.598 32.415 31.823 -0.009 0.000 0.999 340 V HN 0.640 nan 8.190 nan 0.000 0.447 341 I N 2.464 123.023 120.570 -0.020 0.000 2.359 341 I HA 1.037 5.207 4.170 0.000 0.000 0.294 341 I C 0.296 176.401 176.117 -0.021 0.000 0.987 341 I CA 0.188 61.475 61.300 -0.021 0.000 1.225 341 I CB 1.524 39.518 38.000 -0.010 0.000 1.366 341 I HN 0.693 nan 8.210 nan 0.000 0.466 342 G N 4.738 113.522 108.800 -0.026 0.000 2.488 342 G HA2 0.542 4.502 3.960 0.000 0.000 0.301 342 G HA3 0.542 4.502 3.960 0.000 0.000 0.301 342 G C -3.146 171.744 174.900 -0.016 0.000 1.339 342 G CA -0.938 44.150 45.100 -0.019 0.000 0.803 342 G HN 0.538 nan 8.290 nan 0.000 0.482 346 A N 1.119 124.100 122.820 0.268 0.000 2.613 346 A HA 0.392 4.712 4.320 0.000 0.000 0.230 346 A C 1.397 179.025 177.584 0.073 0.000 1.051 346 A CA 1.492 53.607 52.037 0.130 0.000 0.754 346 A CB -0.650 18.385 19.000 0.058 0.000 0.979 346 A HN 2.303 nan 8.150 nan 0.000 0.510 347 G N 0.029 108.821 108.800 -0.013 0.000 2.184 347 G HA2 -0.286 3.674 3.960 0.000 0.000 0.264 347 G HA3 -0.286 3.674 3.960 0.000 0.000 0.264 347 G C 0.057 174.781 174.900 -0.293 0.000 0.975 347 G CA 1.018 46.021 45.100 -0.162 0.000 0.642 347 G HN 0.944 nan 8.290 nan 0.000 0.536 348 Y N -0.256 120.084 120.300 0.066 0.000 2.549 348 Y HA 0.702 5.252 4.550 0.000 0.000 0.339 348 Y C 0.657 176.565 175.900 0.012 0.000 1.053 348 Y CA 0.016 58.144 58.100 0.047 0.000 1.105 348 Y CB 2.453 40.946 38.460 0.055 0.000 1.258 348 Y HN 0.253 nan 8.280 nan 0.000 0.478 349 T N -0.604 114.063 114.554 0.187 0.000 2.864 349 T HA 0.148 4.498 4.350 0.000 0.000 0.299 349 T C 0.358 175.068 174.700 0.016 0.000 1.166 349 T CA -0.643 61.501 62.100 0.073 0.000 1.007 349 T CB 1.762 70.657 68.868 0.045 0.000 1.219 349 T HN 0.670 nan 8.240 nan 0.000 0.506 350 Q N 1.065 120.859 119.800 -0.010 0.000 2.297 350 Q HA -0.056 4.284 4.340 0.000 0.000 0.208 350 Q C 1.248 177.214 176.000 -0.056 0.000 0.981 350 Q CA 2.158 57.936 55.803 -0.041 0.000 0.876 350 Q CB -0.244 28.477 28.738 -0.028 0.000 0.921 350 Q HN 0.776 nan 8.270 nan 0.000 0.446 351 E N -0.049 120.126 120.200 -0.041 0.000 2.511 351 E HA -0.035 4.315 4.350 0.000 0.000 0.196 351 E C 0.475 177.020 176.600 -0.091 0.000 1.066 351 E CA 0.784 57.155 56.400 -0.050 0.000 0.871 351 E CB 0.165 29.851 29.700 -0.024 0.000 0.863 351 E HN 0.559 nan 8.360 nan 0.000 0.520 352 D N 0.359 120.676 120.400 -0.138 0.000 2.289 352 D HA 0.047 4.687 4.640 0.000 0.000 0.207 352 D C 0.423 176.454 176.300 -0.449 0.000 0.966 352 D CA 0.506 54.307 54.000 -0.332 0.000 0.868 352 D CB 0.116 40.723 40.800 -0.322 0.000 0.943 352 D HN 0.160 nan 8.370 nan 0.000 0.514 353 A N 0.604 123.267 122.820 -0.262 0.000 2.425 353 A HA 0.559 4.879 4.320 0.000 0.000 0.242 353 A C 0.923 178.427 177.584 -0.134 0.000 1.077 353 A CA 0.074 51.986 52.037 -0.207 0.000 0.781 353 A CB 0.265 19.180 19.000 -0.142 0.000 1.020 353 A HN 0.184 nan 8.150 nan 0.000 0.494 354 G N -0.142 108.605 108.800 -0.089 0.000 2.522 354 G HA2 0.520 4.481 3.960 0.000 0.000 0.304 354 G HA3 0.520 4.481 3.960 0.000 0.000 0.304 354 G C -0.275 174.616 174.900 -0.015 0.000 1.210 354 G CA -0.926 44.153 45.100 -0.036 0.000 0.960 354 G HN 0.724 nan 8.290 nan 0.000 0.497 355 L N 0.479 121.703 121.223 0.002 0.000 2.439 355 L HA 0.167 4.507 4.340 0.000 0.000 0.269 355 L C 1.036 177.934 176.870 0.046 0.000 1.179 355 L CA -0.512 54.343 54.840 0.025 0.000 0.828 355 L CB 0.333 42.409 42.059 0.030 0.000 1.106 355 L HN 0.544 nan 8.230 nan 0.000 0.467 359 D N 0.249 120.653 120.400 0.006 0.000 2.349 359 D HA 0.063 4.703 4.640 0.000 0.000 0.214 359 D C 2.444 178.751 176.300 0.012 0.000 1.063 359 D CA 0.898 54.921 54.000 0.040 0.000 0.847 359 D CB 0.502 41.334 40.800 0.054 0.000 0.933 359 D HN 0.370 nan 8.370 nan 0.000 0.513 360 S N 0.103 115.784 115.700 -0.033 0.000 2.500 360 S HA -0.080 4.390 4.470 0.000 0.000 0.239 360 S C 1.896 176.392 174.600 -0.174 0.000 0.989 360 S CA 0.627 58.720 58.200 -0.179 0.000 0.951 360 S CB -0.096 62.930 63.200 -0.291 0.000 0.759 360 S HN 0.211 nan 8.310 nan 0.000 0.523 361 A N 0.805 123.648 122.820 0.038 0.000 2.235 361 A HA 0.343 4.663 4.320 0.000 0.000 0.208 361 A C 1.768 179.402 177.584 0.084 0.000 1.172 361 A CA 0.170 52.294 52.037 0.145 0.000 0.786 361 A CB -0.627 18.490 19.000 0.195 0.000 0.804 361 A HN 0.511 nan 8.150 nan 0.000 0.479 362 I N -0.751 119.849 120.570 0.050 0.000 2.493 362 I HA -0.131 4.039 4.170 0.000 0.000 0.254 362 I C 2.252 178.398 176.117 0.048 0.000 1.160 362 I CA 1.768 63.107 61.300 0.065 0.000 1.445 362 I CB -0.237 37.815 38.000 0.086 0.000 1.086 362 I HN 0.260 nan 8.210 nan 0.000 0.433 363 T N 1.312 115.879 114.554 0.022 0.000 2.607 363 T HA -0.199 4.151 4.350 0.000 0.000 0.267 363 T C 1.679 176.413 174.700 0.056 0.000 1.049 363 T CA 2.016 64.148 62.100 0.054 0.000 1.162 363 T CB -0.281 68.592 68.868 0.008 0.000 0.863 363 T HN 0.524 nan 8.240 nan 0.000 0.424 364 E N 0.765 120.965 120.200 0.001 0.000 2.268 364 E HA -0.075 4.276 4.350 0.000 0.000 0.195 364 E C 2.135 178.363 176.600 -0.620 0.000 0.995 364 E CA 0.994 57.195 56.400 -0.331 0.000 0.836 364 E CB -0.732 28.842 29.700 -0.209 0.000 0.763 364 E HN 0.433 nan 8.360 nan 0.000 0.491 365 T N 0.801 115.219 114.554 -0.226 0.000 2.833 365 T HA -0.170 4.180 4.350 0.000 0.000 0.269 365 T C 1.458 176.104 174.700 -0.091 0.000 1.054 365 T CA 1.197 63.210 62.100 -0.145 0.000 1.135 365 T CB -0.333 68.538 68.868 0.006 0.000 0.869 365 T HN 0.292 nan 8.240 nan 0.000 0.466 366 Y N 0.887 121.099 120.300 -0.146 0.000 2.365 366 Y HA 0.313 4.864 4.550 0.000 0.000 0.293 366 Y C 1.767 177.632 175.900 -0.058 0.000 1.119 366 Y CA 0.870 58.928 58.100 -0.070 0.000 1.203 366 Y CB 0.133 38.573 38.460 -0.032 0.000 1.026 366 Y HN 0.261 nan 8.280 nan 0.000 0.549 367 G N -0.685 108.046 108.800 -0.116 0.000 2.370 367 G HA2 -0.128 3.832 3.960 0.000 0.000 0.174 367 G HA3 -0.128 3.832 3.960 0.000 0.000 0.174 367 G C -0.289 174.688 174.900 0.128 0.000 1.002 367 G CA 0.045 45.123 45.100 -0.038 0.000 0.730 367 G HN 0.348 nan 8.290 nan 0.000 0.497 368 V N -0.355 119.655 119.914 0.160 0.000 3.485 368 V HA 0.927 5.047 4.120 0.000 0.000 0.293 368 V C 1.857 178.068 176.094 0.194 0.000 1.253 368 V CA 1.195 63.608 62.300 0.188 0.000 0.991 368 V CB 1.008 32.945 31.823 0.190 0.000 1.252 368 V HN 2.065 nan 8.190 nan 0.000 0.473 369 G N 0.724 109.644 108.800 0.200 0.000 2.561 369 G HA2 -0.249 3.711 3.960 0.000 0.000 0.289 369 G HA3 -0.249 3.711 3.960 0.000 0.000 0.289 369 G C 1.118 176.138 174.900 0.199 0.000 1.169 369 G CA 0.482 45.735 45.100 0.254 0.000 0.980 369 G HN 1.853 nan 8.290 nan 0.000 0.550 370 G N -0.687 108.228 108.800 0.192 0.000 2.448 370 G HA2 0.112 4.072 3.960 0.000 0.000 0.219 370 G HA3 0.112 4.072 3.960 0.000 0.000 0.219 370 G C 1.717 176.756 174.900 0.232 0.000 1.127 370 G CA 1.459 46.646 45.100 0.145 0.000 0.766 370 G HN 0.528 nan 8.290 nan 0.000 0.552 371 F N 1.506 121.479 119.950 0.039 0.000 2.216 371 F HA 0.173 4.701 4.527 0.000 0.000 0.300 371 F C 2.230 178.058 175.800 0.047 0.000 1.085 371 F CA 0.141 58.167 58.000 0.042 0.000 1.326 371 F CB 0.167 39.200 39.000 0.056 0.000 1.027 371 F HN 0.225 nan 8.300 nan 0.000 0.497 375 A N -0.030 122.800 122.820 0.015 0.000 2.168 375 A HA 0.571 4.891 4.320 0.000 0.000 0.215 375 A C 1.226 178.820 177.584 0.015 0.000 1.152 375 A CA 1.635 53.675 52.037 0.004 0.000 0.716 375 A CB -0.386 18.629 19.000 0.025 0.000 0.794 375 A HN 1.692 nan 8.150 nan 0.000 0.465 376 A N -0.046 122.792 122.820 0.029 0.000 3.297 376 A HA 0.557 4.877 4.320 0.000 0.000 0.304 376 A C -1.450 176.158 177.584 0.039 0.000 0.963 376 A CA -0.747 51.313 52.037 0.040 0.000 0.935 376 A CB 0.339 19.373 19.000 0.056 0.000 1.093 376 A HN 0.174 nan 8.150 nan 0.000 0.480 377 P HA -0.176 nan 4.420 nan 0.000 0.223 377 P C 1.513 178.833 177.300 0.034 0.000 1.144 377 P CA 1.573 64.689 63.100 0.027 0.000 0.783 377 P CB 0.167 31.875 31.700 0.014 0.000 0.771 378 A N 0.931 123.774 122.820 0.038 0.000 2.032 378 A HA -0.175 4.145 4.320 0.000 0.000 0.221 378 A C 2.159 179.774 177.584 0.052 0.000 1.165 378 A CA 1.700 53.764 52.037 0.044 0.000 0.645 378 A CB -1.500 17.530 19.000 0.050 0.000 0.807 378 A HN 0.425 nan 8.150 nan 0.000 0.453 379 I N -3.749 116.855 120.570 0.057 0.000 3.059 379 I HA 0.020 4.190 4.170 0.000 0.000 0.270 379 I C 1.753 177.904 176.117 0.057 0.000 1.238 379 I CA 0.367 61.705 61.300 0.063 0.000 1.478 379 I CB -0.417 37.622 38.000 0.066 0.000 1.097 379 I HN -0.028 nan 8.210 nan 0.000 0.455 380 V N 3.070 123.014 119.914 0.050 0.000 2.277 380 V HA -0.212 3.908 4.120 0.000 0.000 0.253 380 V C 0.170 176.294 176.094 0.049 0.000 1.067 380 V CA 2.877 65.206 62.300 0.048 0.000 1.047 380 V CB -1.973 29.875 31.823 0.042 0.000 0.649 380 V HN 0.478 nan 8.190 nan 0.000 0.447 381 P HA -0.061 nan 4.420 nan 0.000 0.231 381 P C 1.751 179.095 177.300 0.073 0.000 1.168 381 P CA 0.926 64.059 63.100 0.055 0.000 0.779 381 P CB 0.100 31.830 31.700 0.049 0.000 0.844 382 L N -0.587 120.685 121.223 0.082 0.000 2.209 382 L HA 0.073 4.413 4.340 0.000 0.000 0.207 382 L C 1.940 178.858 176.870 0.080 0.000 1.094 382 L CA 1.573 56.480 54.840 0.112 0.000 0.790 382 L CB -0.623 41.513 42.059 0.128 0.000 0.932 382 L HN -0.262 nan 8.230 nan 0.000 0.447 383 V N -0.184 119.763 119.914 0.055 0.000 3.661 383 V HA 0.540 4.660 4.120 0.000 0.000 0.271 383 V C 0.933 177.042 176.094 0.025 0.000 1.315 383 V CA 0.446 62.763 62.300 0.028 0.000 1.072 383 V CB -0.536 31.297 31.823 0.017 0.000 0.830 383 V HN 0.677 nan 8.190 nan 0.000 0.443 384 G N -0.414 108.410 108.800 0.039 0.000 2.710 384 G HA2 0.422 4.382 3.960 0.000 0.000 0.668 384 G HA3 0.422 4.382 3.960 0.000 0.000 0.668 384 G C 0.247 175.177 174.900 0.050 0.000 1.320 384 G CA -0.580 44.544 45.100 0.040 0.000 0.860 384 G HN 1.644 nan 8.290 nan 0.000 0.538 385 G N -1.835 106.996 108.800 0.052 0.000 2.698 385 G HA2 0.415 4.376 3.960 0.000 0.000 0.225 385 G HA3 0.415 4.376 3.960 0.000 0.000 0.225 385 G C 0.111 175.039 174.900 0.047 0.000 1.345 385 G CA 0.694 45.832 45.100 0.063 0.000 0.871 385 G HN 2.231 nan 8.290 nan 0.000 0.540 386 T N -1.455 113.125 114.554 0.043 0.000 2.950 386 T HA 0.565 4.915 4.350 0.000 0.000 0.288 386 T C 1.564 176.280 174.700 0.027 0.000 1.035 386 T CA 0.712 62.827 62.100 0.024 0.000 1.028 386 T CB 1.644 70.515 68.868 0.005 0.000 1.109 386 T HN 1.828 nan 8.240 nan 0.000 0.514 387 V N 2.785 122.709 119.914 0.017 0.000 2.379 387 V HA 0.069 4.189 4.120 0.000 0.000 0.245 387 V C 2.461 178.556 176.094 0.003 0.000 1.044 387 V CA 2.453 64.761 62.300 0.015 0.000 1.036 387 V CB -1.038 30.790 31.823 0.008 0.000 0.664 387 V HN 0.977 nan 8.190 nan 0.000 0.453 388 A N -0.394 122.419 122.820 -0.011 0.000 1.940 388 A HA -0.276 4.044 4.320 0.000 0.000 0.219 388 A C 2.045 179.600 177.584 -0.049 0.000 1.176 388 A CA 2.174 54.193 52.037 -0.029 0.000 0.631 388 A CB -0.687 18.292 19.000 -0.034 0.000 0.814 388 A HN 0.735 nan 8.150 nan 0.000 0.446 389 E N -0.541 119.631 120.200 -0.047 0.000 2.106 389 E HA -0.067 4.283 4.350 0.000 0.000 0.192 389 E C 2.278 178.864 176.600 -0.023 0.000 0.984 389 E CA 0.878 57.220 56.400 -0.098 0.000 0.806 389 E CB -0.231 29.439 29.700 -0.051 0.000 0.750 389 E HN 0.647 nan 8.360 nan 0.000 0.458 390 A N 0.955 123.816 122.820 0.068 0.000 1.897 390 A HA -0.104 4.216 4.320 0.000 0.000 0.215 390 A C 2.142 179.773 177.584 0.077 0.000 1.181 390 A CA 0.735 52.851 52.037 0.133 0.000 0.620 390 A CB -0.498 18.560 19.000 0.096 0.000 0.821 390 A HN 0.119 nan 8.150 nan 0.000 0.443 391 L N -0.661 120.573 121.223 0.020 0.000 2.042 391 L HA -0.239 4.102 4.340 0.000 0.000 0.210 391 L C 2.420 179.281 176.870 -0.015 0.000 1.076 391 L CA 1.945 56.783 54.840 -0.004 0.000 0.749 391 L CB -0.736 41.309 42.059 -0.023 0.000 0.893 391 L HN 0.495 nan 8.230 nan 0.000 0.432 392 N N -1.308 117.359 118.700 -0.054 0.000 2.244 392 N HA -0.196 4.544 4.740 0.000 0.000 0.183 392 N C 1.831 177.281 175.510 -0.100 0.000 1.016 392 N CA 0.850 53.833 53.050 -0.111 0.000 0.866 392 N CB 0.001 38.367 38.487 -0.202 0.000 0.980 392 N HN 0.167 nan 8.380 nan 0.000 0.430 393 Y N 0.337 120.598 120.300 -0.065 0.000 2.220 393 Y HA 0.004 4.554 4.550 0.000 0.000 0.291 393 Y C 2.654 178.473 175.900 -0.135 0.000 1.129 393 Y CA 0.811 58.854 58.100 -0.096 0.000 1.161 393 Y CB -0.478 37.935 38.460 -0.077 0.000 0.997 393 Y HN 0.029 nan 8.280 nan 0.000 0.522 394 S N -0.260 115.485 115.700 0.075 0.000 2.368 394 S HA -0.186 4.284 4.470 0.000 0.000 0.225 394 S C 1.983 176.565 174.600 -0.030 0.000 1.030 394 S CA 1.314 59.515 58.200 0.001 0.000 0.999 394 S CB -0.172 63.044 63.200 0.028 0.000 0.844 394 S HN 0.392 nan 8.310 nan 0.000 0.459 395 K N 1.073 121.460 120.400 -0.023 0.000 2.002 395 K HA -0.039 4.281 4.320 0.000 0.000 0.209 395 K C 1.029 177.599 176.600 -0.050 0.000 1.048 395 K CA 0.822 57.088 56.287 -0.034 0.000 0.930 395 K CB -0.130 32.347 32.500 -0.038 0.000 0.714 395 K HN 0.464 nan 8.250 nan 0.000 0.438 399 E N 0.712 120.893 120.200 -0.031 0.000 2.371 399 E HA 0.074 4.424 4.350 0.000 0.000 0.194 399 E C 1.847 178.439 176.600 -0.013 0.000 1.012 399 E CA 0.809 57.197 56.400 -0.020 0.000 0.860 399 E CB 0.627 30.309 29.700 -0.031 0.000 0.811 399 E HN 0.469 nan 8.360 nan 0.000 0.502 400 I N 1.134 121.694 120.570 -0.016 0.000 3.645 400 I HA -0.021 4.149 4.170 0.000 0.000 0.300 400 I C 0.667 176.823 176.117 0.065 0.000 1.260 400 I CA 0.490 61.796 61.300 0.011 0.000 1.365 400 I CB 0.442 38.444 38.000 0.002 0.000 1.077 400 I HN 0.077 nan 8.210 nan 0.000 0.439 401 T N -4.000 110.592 114.554 0.065 0.000 2.942 401 T HA 0.295 4.645 4.350 0.000 0.000 0.289 401 T C 0.775 175.505 174.700 0.049 0.000 1.044 401 T CA -0.544 61.610 62.100 0.091 0.000 1.023 401 T CB 1.915 70.863 68.868 0.133 0.000 1.123 401 T HN -0.158 nan 8.240 nan 0.000 0.512 402 T N 0.417 114.995 114.554 0.039 0.000 2.852 402 T HA 0.167 4.517 4.350 0.000 0.000 0.256 402 T C 0.592 175.299 174.700 0.011 0.000 1.038 402 T CA 0.803 62.912 62.100 0.016 0.000 1.141 402 T CB -0.347 68.523 68.868 0.003 0.000 0.869 402 T HN 0.898 nan 8.240 nan 0.000 0.439 403 K N 0.399 120.806 120.400 0.011 0.000 2.615 403 K HA 0.416 4.736 4.320 0.000 0.000 0.291 403 K C -1.921 174.684 176.600 0.009 0.000 1.017 403 K CA -1.007 55.286 56.287 0.010 0.000 0.882 403 K CB 1.301 33.804 32.500 0.006 0.000 1.522 403 K HN -0.060 nan 8.250 nan 0.000 0.412 404 E N 1.194 121.402 120.200 0.013 0.000 2.338 404 E HA 0.037 4.387 4.350 0.000 0.000 0.272 404 E C -0.633 175.970 176.600 0.004 0.000 1.029 404 E CA -0.695 55.714 56.400 0.014 0.000 0.872 404 E CB 0.631 30.348 29.700 0.028 0.000 1.015 404 E HN 0.357 nan 8.360 nan 0.000 0.417 405 N N 4.429 123.121 118.700 -0.014 0.000 2.399 405 N HA 0.037 4.777 4.740 0.000 0.000 0.259 405 N C -1.759 173.763 175.510 0.020 0.000 1.160 405 N CA -2.102 50.937 53.050 -0.018 0.000 0.946 405 N CB 0.812 39.252 38.487 -0.078 0.000 1.156 405 N HN 0.243 nan 8.380 nan 0.000 0.489 406 P HA -0.045 nan 4.420 nan 0.000 0.223 406 P C 0.286 177.618 177.300 0.053 0.000 1.151 406 P CA 0.828 63.956 63.100 0.047 0.000 0.787 406 P CB 0.463 32.185 31.700 0.037 0.000 0.788 407 N N -0.243 118.483 118.700 0.044 0.000 2.515 407 N HA 0.034 4.774 4.740 0.000 0.000 0.185 407 N C 0.019 175.553 175.510 0.041 0.000 1.109 407 N CA 0.572 53.648 53.050 0.042 0.000 0.903 407 N CB 0.507 39.023 38.487 0.048 0.000 0.969 407 N HN 0.093 nan 8.380 nan 0.000 0.450 408 V N 0.912 120.858 119.914 0.053 0.000 2.532 408 V HA 0.266 4.386 4.120 0.000 0.000 0.294 408 V C -0.182 175.967 176.094 0.091 0.000 1.036 408 V CA -0.795 61.536 62.300 0.052 0.000 0.876 408 V CB 1.637 33.503 31.823 0.071 0.000 1.012 408 V HN 0.107 nan 8.190 nan 0.000 0.432 409 T N 1.977 116.626 114.554 0.158 0.000 2.916 409 T HA 0.840 5.190 4.350 0.000 0.000 0.292 409 T C -0.717 174.122 174.700 0.232 0.000 1.064 409 T CA -0.761 61.477 62.100 0.230 0.000 1.011 409 T CB 2.276 71.360 68.868 0.361 0.000 1.152 409 T HN 0.299 nan 8.240 nan 0.000 0.510 410 I N 2.685 123.298 120.570 0.072 0.000 2.359 410 I HA 0.310 4.480 4.170 0.000 0.000 0.284 410 I C -1.891 174.003 176.117 -0.372 0.000 1.018 410 I CA -2.645 58.612 61.300 -0.072 0.000 1.173 410 I CB 2.072 40.046 38.000 -0.043 0.000 1.326 410 I HN 0.450 nan 8.210 nan 0.000 0.462 411 P HA -0.205 nan 4.420 nan 0.000 0.213 411 P C 1.826 178.664 177.300 -0.770 0.000 1.170 411 P CA 1.007 63.327 63.100 -1.300 0.000 0.902 411 P CB 0.334 31.483 31.700 -0.918 0.000 0.789 412 V N -0.903 118.771 119.914 -0.400 0.000 2.568 412 V HA -0.149 3.971 4.120 0.000 0.000 0.253 412 V C 1.240 177.225 176.094 -0.181 0.000 1.072 412 V CA 1.514 63.675 62.300 -0.233 0.000 1.084 412 V CB -0.937 30.804 31.823 -0.136 0.000 0.676 412 V HN -0.012 nan 8.190 nan 0.000 0.469 413 L N 1.317 122.429 121.223 -0.184 0.000 2.998 413 L HA 0.332 4.672 4.340 0.000 0.000 0.234 413 L C 0.604 177.423 176.870 -0.084 0.000 1.350 413 L CA 0.215 54.993 54.840 -0.103 0.000 1.202 413 L CB -1.315 40.707 42.059 -0.062 0.000 1.583 413 L HN 0.370 nan 8.230 nan 0.000 0.456 414 D N -0.161 120.179 120.400 -0.100 0.000 2.792 414 D HA -0.303 4.337 4.640 0.000 0.000 0.231 414 D C 0.411 176.858 176.300 0.246 0.000 1.160 414 D CA 0.747 54.793 54.000 0.076 0.000 0.697 414 D CB -1.236 39.622 40.800 0.097 0.000 1.070 414 D HN 0.258 nan 8.370 nan 0.000 0.426 418 I N -0.105 120.493 120.570 0.045 0.000 3.003 418 I HA 0.365 4.535 4.170 0.000 0.000 0.294 418 I C -2.157 173.986 176.117 0.044 0.000 1.237 418 I CA -1.481 59.849 61.300 0.050 0.000 1.417 418 I CB 0.434 38.457 38.000 0.039 0.000 1.340 418 I HN 0.171 nan 8.210 nan 0.000 0.594 419 P HA 0.219 nan 4.420 nan 0.000 0.287 419 P C -1.016 176.367 177.300 0.138 0.000 1.307 419 P CA -0.129 63.043 63.100 0.120 0.000 0.777 419 P CB 0.876 32.659 31.700 0.138 0.000 0.883 420 T N 0.936 115.514 114.554 0.041 0.000 2.823 420 T HA 0.660 5.011 4.350 0.000 0.000 0.279 420 T C 0.457 175.167 174.700 0.017 0.000 0.998 420 T CA -0.378 61.707 62.100 -0.026 0.000 0.994 420 T CB 1.401 70.202 68.868 -0.111 0.000 0.960 420 T HN 0.625 nan 8.240 nan 0.000 0.448 421 G N 2.742 111.554 108.800 0.020 0.000 2.756 421 G HA2 -0.168 3.792 3.960 0.000 0.000 0.272 421 G HA3 -0.168 3.792 3.960 0.000 0.000 0.272 421 G C -0.178 174.770 174.900 0.081 0.000 1.128 421 G CA -1.013 44.108 45.100 0.036 0.000 1.145 421 G HN 0.870 nan 8.290 nan 0.000 0.545 422 I N 1.292 121.935 120.570 0.121 0.000 2.752 422 I HA 0.050 4.220 4.170 0.000 0.000 0.286 422 I C 0.514 176.715 176.117 0.140 0.000 1.180 422 I CA 0.395 61.800 61.300 0.175 0.000 1.404 422 I CB 0.520 38.657 38.000 0.227 0.000 1.389 422 I HN 0.336 nan 8.210 nan 0.000 0.549 423 D N 6.708 127.177 120.400 0.115 0.000 2.392 423 D HA 0.148 4.788 4.640 0.000 0.000 0.228 423 D C 0.906 177.269 176.300 0.106 0.000 1.074 423 D CA -0.486 53.565 54.000 0.086 0.000 0.838 423 D CB 1.806 42.635 40.800 0.049 0.000 1.067 423 D HN 0.248 nan 8.370 nan 0.000 0.511 424 V N 4.245 124.243 119.914 0.140 0.000 2.277 424 V HA -0.288 3.832 4.120 0.000 0.000 0.253 424 V C 2.400 178.557 176.094 0.105 0.000 1.067 424 V CA 1.598 64.015 62.300 0.195 0.000 1.047 424 V CB -0.514 31.375 31.823 0.110 0.000 0.649 424 V HN 0.562 nan 8.190 nan 0.000 0.447 425 L N -0.385 120.875 121.223 0.062 0.000 2.046 425 L HA -0.159 4.181 4.340 0.000 0.000 0.208 425 L C 2.386 179.276 176.870 0.033 0.000 1.077 425 L CA 1.969 56.838 54.840 0.049 0.000 0.747 425 L CB -0.596 41.500 42.059 0.062 0.000 0.896 425 L HN 0.280 nan 8.230 nan 0.000 0.432 426 K N -1.630 118.787 120.400 0.029 0.000 2.228 426 K HA -0.030 4.290 4.320 0.000 0.000 0.202 426 K C 1.910 178.485 176.600 -0.042 0.000 1.051 426 K CA 1.022 57.313 56.287 0.007 0.000 0.960 426 K CB -0.135 32.376 32.500 0.018 0.000 0.743 426 K HN 0.174 nan 8.250 nan 0.000 0.458 427 V N 1.576 121.443 119.914 -0.079 0.000 2.332 427 V HA -0.244 3.876 4.120 0.000 0.000 0.248 427 V C 2.106 178.092 176.094 -0.179 0.000 1.055 427 V CA 1.453 63.623 62.300 -0.217 0.000 1.038 427 V CB -0.365 31.151 31.823 -0.513 0.000 0.651 427 V HN 0.207 nan 8.190 nan 0.000 0.450 428 L N 0.502 121.667 121.223 -0.096 0.000 2.072 428 L HA -0.103 4.237 4.340 0.000 0.000 0.205 428 L C 2.550 179.395 176.870 -0.041 0.000 1.079 428 L CA 2.309 57.116 54.840 -0.055 0.000 0.752 428 L CB -0.849 41.206 42.059 -0.005 0.000 0.906 428 L HN 0.676 nan 8.230 nan 0.000 0.436 429 E N -1.659 118.524 120.200 -0.029 0.000 2.230 429 E HA -0.127 4.223 4.350 0.000 0.000 0.192 429 E C 1.821 178.402 176.600 -0.031 0.000 0.987 429 E CA 1.402 57.789 56.400 -0.022 0.000 0.841 429 E CB -0.543 29.152 29.700 -0.008 0.000 0.783 429 E HN 0.474 nan 8.360 nan 0.000 0.481 430 T N -2.701 111.828 114.554 -0.042 0.000 2.942 430 T HA 0.330 4.680 4.350 0.000 0.000 0.265 430 T C 1.268 175.936 174.700 -0.053 0.000 1.062 430 T CA 0.305 62.378 62.100 -0.045 0.000 1.139 430 T CB -0.593 68.244 68.868 -0.052 0.000 0.883 430 T HN 0.604 nan 8.240 nan 0.000 0.468 434 P HA 0.112 nan 4.420 nan 0.000 0.261 434 P C -0.718 176.655 177.300 0.122 0.000 1.173 434 P CA 0.043 63.263 63.100 0.200 0.000 0.760 434 P CB 0.505 32.423 31.700 0.363 0.000 0.783 435 V N 6.057 126.014 119.914 0.073 0.000 2.439 435 V HA 0.478 4.598 4.120 0.000 0.000 0.282 435 V C -0.140 176.015 176.094 0.101 0.000 1.039 435 V CA -0.600 61.662 62.300 -0.064 0.000 0.913 435 V CB 0.470 32.050 31.823 -0.405 0.000 0.983 435 V HN 0.446 nan 8.190 nan 0.000 0.460 436 I N 5.590 126.195 120.570 0.058 0.000 2.498 436 I HA 0.569 4.739 4.170 0.000 0.000 0.290 436 I C -0.681 175.423 176.117 -0.023 0.000 1.032 436 I CA -0.589 60.766 61.300 0.093 0.000 1.073 436 I CB 1.927 40.040 38.000 0.188 0.000 1.251 436 I HN 0.618 nan 8.210 nan 0.000 0.426 437 N N 4.604 123.244 118.700 -0.099 0.000 2.421 437 N HA 0.521 5.261 4.740 0.000 0.000 0.285 437 N C -0.861 174.425 175.510 -0.373 0.000 1.027 437 N CA -0.311 52.634 53.050 -0.174 0.000 0.918 437 N CB 1.809 40.211 38.487 -0.142 0.000 1.152 437 N HN 0.684 nan 8.380 nan 0.000 0.485 438 T N 0.020 114.446 114.554 -0.214 0.000 2.821 438 T HA 0.616 4.966 4.350 0.000 0.000 0.306 438 T C -1.340 173.338 174.700 -0.037 0.000 1.313 438 T CA -0.582 61.424 62.100 -0.157 0.000 1.012 438 T CB 1.066 69.953 68.868 0.032 0.000 1.298 438 T HN 0.433 nan 8.240 nan 0.000 0.502 439 A N 2.813 125.659 122.820 0.043 0.000 2.425 439 A HA 0.614 4.935 4.320 0.000 0.000 0.249 439 A C 0.684 178.263 177.584 -0.008 0.000 1.084 439 A CA -0.632 51.417 52.037 0.021 0.000 0.781 439 A CB -0.423 18.634 19.000 0.095 0.000 1.019 439 A HN 0.974 nan 8.150 nan 0.000 0.490 440 I N 0.150 120.656 120.570 -0.106 0.000 2.365 440 I HA 0.693 4.864 4.170 0.000 0.000 0.291 440 I C 0.054 176.071 176.117 -0.166 0.000 1.004 440 I CA -0.430 60.796 61.300 -0.124 0.000 1.311 440 I CB 1.407 39.312 38.000 -0.159 0.000 1.401 440 I HN 0.571 nan 8.210 nan 0.000 0.491 441 A N 4.754 127.524 122.820 -0.084 0.000 2.350 441 A HA 0.423 4.743 4.320 0.000 0.000 0.324 441 A C -0.619 176.916 177.584 -0.083 0.000 1.118 441 A CA -0.655 51.341 52.037 -0.069 0.000 0.783 441 A CB 0.576 19.671 19.000 0.160 0.000 1.236 441 A HN 0.918 nan 8.150 nan 0.000 0.457 442 H N 1.100 120.044 119.070 -0.210 0.000 2.972 442 H HA 0.055 4.611 4.556 0.000 0.000 0.343 442 H C 1.671 176.962 175.328 -0.062 0.000 1.054 442 H CA 1.276 57.226 56.048 -0.162 0.000 1.412 442 H CB 0.930 30.577 29.762 -0.191 0.000 1.385 442 H HN 0.710 nan 8.280 nan 0.000 0.600 443 K N 2.992 123.375 120.400 -0.028 0.000 2.365 443 K HA -0.018 4.303 4.320 0.000 0.000 0.199 443 K C -0.116 176.585 176.600 0.167 0.000 1.045 443 K CA 0.853 57.171 56.287 0.051 0.000 0.962 443 K CB 0.412 32.896 32.500 -0.026 0.000 0.759 443 K HN 0.478 nan 8.250 nan 0.000 0.469 444 E N 2.268 122.709 120.200 0.401 0.000 2.301 444 E HA 0.233 4.583 4.350 0.000 0.000 0.275 444 E C -2.475 174.176 176.600 0.085 0.000 1.030 444 E CA -2.615 53.900 56.400 0.192 0.000 0.852 444 E CB 1.352 31.115 29.700 0.104 0.000 1.060 444 E HN 0.035 nan 8.360 nan 0.000 0.401 445 P HA 0.026 nan 4.420 nan 0.000 0.263 445 P C 0.598 177.918 177.300 0.033 0.000 1.195 445 P CA 0.776 63.907 63.100 0.052 0.000 0.762 445 P CB 0.430 32.156 31.700 0.043 0.000 0.799 446 G N 2.999 111.840 108.800 0.069 0.000 2.225 446 G HA2 -0.341 3.619 3.960 0.000 0.000 0.254 446 G HA3 -0.341 3.619 3.960 0.000 0.000 0.254 446 G C 0.995 175.892 174.900 -0.004 0.000 0.988 446 G CA 0.245 45.383 45.100 0.062 0.000 0.625 446 G HN 0.491 nan 8.290 nan 0.000 0.527 447 I N 1.488 122.009 120.570 -0.082 0.000 2.394 447 I HA 0.304 4.474 4.170 0.000 0.000 0.251 447 I C 1.916 177.911 176.117 -0.203 0.000 1.136 447 I CA 1.628 62.828 61.300 -0.167 0.000 1.425 447 I CB -0.333 37.427 38.000 -0.400 0.000 1.079 447 I HN 1.152 nan 8.210 nan 0.000 0.425 451 G N 0.753 108.560 108.800 -1.656 0.000 2.357 451 G HA2 0.685 4.645 3.960 0.000 0.000 0.289 451 G HA3 0.685 4.645 3.960 0.000 0.000 0.289 451 G C -1.667 172.895 174.900 -0.564 0.000 1.302 451 G CA 0.340 44.714 45.100 -1.209 0.000 0.936 451 G HN 1.662 nan 8.290 nan 0.000 0.513 452 A N -1.762 120.896 122.820 -0.270 0.000 2.610 452 A HA 1.230 5.550 4.320 0.000 0.000 0.291 452 A C 0.122 177.663 177.584 -0.072 0.000 1.086 452 A CA 0.536 52.496 52.037 -0.128 0.000 0.677 452 A CB 1.250 20.215 19.000 -0.057 0.000 1.278 452 A HN 2.810 nan 8.150 nan 0.000 0.414 453 G N -1.132 107.634 108.800 -0.055 0.000 2.340 453 G HA2 0.576 4.536 3.960 0.000 0.000 0.299 453 G HA3 0.576 4.536 3.960 0.000 0.000 0.299 453 G C -1.753 173.120 174.900 -0.044 0.000 1.291 453 G CA -0.164 44.912 45.100 -0.039 0.000 0.841 453 G HN 1.590 nan 8.290 nan 0.000 0.500 454 L N 0.394 121.593 121.223 -0.039 0.000 2.312 454 L HA 0.810 5.150 4.340 0.000 0.000 0.281 454 L C 0.179 177.029 176.870 -0.033 0.000 1.070 454 L CA -0.207 54.600 54.840 -0.056 0.000 0.805 454 L CB 1.754 43.770 42.059 -0.072 0.000 1.174 454 L HN 0.757 nan 8.230 nan 0.000 0.434 455 T N 2.748 117.287 114.554 -0.024 0.000 2.838 455 T HA 0.598 4.948 4.350 0.000 0.000 0.292 455 T C -1.230 173.468 174.700 -0.003 0.000 1.113 455 T CA -0.687 61.415 62.100 0.003 0.000 1.008 455 T CB 1.510 70.404 68.868 0.044 0.000 1.259 455 T HN 0.819 nan 8.240 nan 0.000 0.520 456 N N 0.842 119.531 118.700 -0.019 0.000 2.455 456 N HA 0.635 5.375 4.740 0.000 0.000 0.278 456 N C -2.938 172.445 175.510 -0.212 0.000 1.291 456 N CA -1.290 51.723 53.050 -0.061 0.000 0.780 456 N CB 1.619 40.072 38.487 -0.056 0.000 1.520 456 N HN 0.313 nan 8.380 nan 0.000 0.486 457 P HA 0.269 nan 4.420 nan 0.000 0.274 457 P C -2.614 174.507 177.300 -0.298 0.000 1.246 457 P CA -0.994 61.596 63.100 -0.850 0.000 0.795 457 P CB -0.094 31.228 31.700 -0.629 0.000 1.006 458 P HA 0.137 nan 4.420 nan 0.000 0.282 458 P C 0.147 177.505 177.300 0.096 0.000 1.249 458 P CA -0.215 62.867 63.100 -0.029 0.000 0.806 458 P CB 0.902 32.604 31.700 0.003 0.000 0.984 459 A N 4.046 126.918 122.820 0.087 0.000 1.917 459 A HA -0.250 4.070 4.320 0.000 0.000 0.219 459 A C 1.975 179.679 177.584 0.201 0.000 1.182 459 A CA 2.083 54.198 52.037 0.130 0.000 0.633 459 A CB -1.486 17.544 19.000 0.050 0.000 0.819 459 A HN 0.760 nan 8.150 nan 0.000 0.448 460 N N 0.335 119.114 118.700 0.132 0.000 2.149 460 N HA -0.137 4.603 4.740 0.000 0.000 0.188 460 N C 1.603 177.185 175.510 0.120 0.000 1.019 460 N CA 1.803 54.922 53.050 0.115 0.000 0.857 460 N CB -0.925 37.617 38.487 0.091 0.000 0.997 460 N HN 0.244 nan 8.380 nan 0.000 0.426 461 V N 0.588 120.564 119.914 0.104 0.000 2.453 461 V HA -0.213 3.907 4.120 0.000 0.000 0.252 461 V C 1.903 177.893 176.094 -0.173 0.000 1.068 461 V CA 1.612 63.913 62.300 0.001 0.000 1.070 461 V CB -0.713 31.081 31.823 -0.048 0.000 0.664 461 V HN 0.156 nan 8.190 nan 0.000 0.461 462 F N 0.017 119.954 119.950 -0.022 0.000 2.163 462 F HA -0.069 4.458 4.527 0.000 0.000 0.297 462 F C 2.332 178.074 175.800 -0.098 0.000 1.094 462 F CA 1.502 59.458 58.000 -0.074 0.000 1.290 462 F CB -0.737 38.238 39.000 -0.042 0.000 1.017 462 F HN 0.172 nan 8.300 nan 0.000 0.483 463 N N 0.597 119.375 118.700 0.131 0.000 2.061 463 N HA -0.220 4.520 4.740 0.000 0.000 0.193 463 N C 1.671 177.179 175.510 -0.004 0.000 1.030 463 N CA 1.919 55.003 53.050 0.056 0.000 0.856 463 N CB -0.364 38.162 38.487 0.066 0.000 1.023 463 N HN 0.485 nan 8.380 nan 0.000 0.424 464 E N 1.204 121.396 120.200 -0.013 0.000 2.047 464 E HA -0.115 4.235 4.350 0.000 0.000 0.191 464 E C 2.220 178.662 176.600 -0.264 0.000 0.987 464 E CA 0.831 57.232 56.400 0.002 0.000 0.799 464 E CB -0.185 29.639 29.700 0.206 0.000 0.752 464 E HN 0.327 nan 8.360 nan 0.000 0.449 465 A N 1.950 124.363 122.820 -0.678 0.000 1.881 465 A HA -0.267 4.054 4.320 0.000 0.000 0.219 465 A C 2.281 179.630 177.584 -0.391 0.000 1.215 465 A CA 1.898 53.367 52.037 -0.946 0.000 0.648 465 A CB -0.967 17.626 19.000 -0.678 0.000 0.832 465 A HN 0.259 nan 8.150 nan 0.000 0.455 466 L N -0.412 120.697 121.223 -0.189 0.000 2.079 466 L HA -0.168 4.172 4.340 0.000 0.000 0.210 466 L C 2.407 179.243 176.870 -0.056 0.000 1.081 466 L CA 2.682 57.473 54.840 -0.083 0.000 0.752 466 L CB -0.363 41.682 42.059 -0.024 0.000 0.896 466 L HN 0.506 nan 8.230 nan 0.000 0.433 467 K N -0.997 119.377 120.400 -0.043 0.000 2.103 467 K HA -0.101 4.220 4.320 0.000 0.000 0.204 467 K C 1.982 178.590 176.600 0.013 0.000 1.052 467 K CA 1.037 57.325 56.287 0.002 0.000 0.945 467 K CB -0.138 32.380 32.500 0.030 0.000 0.722 467 K HN 0.432 nan 8.250 nan 0.000 0.443 468 A N 1.339 124.167 122.820 0.013 0.000 1.930 468 A HA -0.099 4.221 4.320 0.000 0.000 0.217 468 A C 2.056 179.635 177.584 -0.009 0.000 1.175 468 A CA 1.026 53.093 52.037 0.049 0.000 0.627 468 A CB -0.473 18.640 19.000 0.189 0.000 0.815 468 A HN 0.265 nan 8.150 nan 0.000 0.443 469 L N -0.136 121.058 121.223 -0.049 0.000 1.961 469 L HA -0.181 4.159 4.340 0.000 0.000 0.210 469 L C 2.690 179.547 176.870 -0.021 0.000 1.072 469 L CA 1.734 56.548 54.840 -0.044 0.000 0.749 469 L CB -0.797 41.228 42.059 -0.058 0.000 0.889 469 L HN 0.428 nan 8.230 nan 0.000 0.432 470 V N -1.845 118.062 119.914 -0.013 0.000 2.764 470 V HA -0.280 3.840 4.120 0.000 0.000 0.261 470 V C 2.080 178.175 176.094 0.003 0.000 1.108 470 V CA 1.867 64.167 62.300 -0.001 0.000 1.129 470 V CB -1.094 30.732 31.823 0.005 0.000 0.701 470 V HN 0.397 nan 8.190 nan 0.000 0.495 471 A N -0.746 122.076 122.820 0.003 0.000 2.220 471 A HA 0.188 4.508 4.320 0.000 0.000 0.211 471 A C 2.122 179.708 177.584 0.002 0.000 1.176 471 A CA 1.148 53.190 52.037 0.009 0.000 0.834 471 A CB -0.257 18.756 19.000 0.021 0.000 0.868 471 A HN 0.549 nan 8.150 nan 0.000 0.488 472 T N 0.061 114.610 114.554 -0.008 0.000 3.004 472 T HA 0.198 4.548 4.350 0.000 0.000 0.243 472 T C 0.673 175.365 174.700 -0.014 0.000 1.020 472 T CA 0.108 62.199 62.100 -0.015 0.000 1.145 472 T CB -0.321 68.529 68.868 -0.030 0.000 0.876 472 T HN 0.308 nan 8.240 nan 0.000 0.449 473 I N 3.848 124.409 120.570 -0.015 0.000 2.948 473 I HA -0.055 4.116 4.170 0.000 0.000 0.284 473 I C 0.774 176.886 176.117 -0.009 0.000 1.181 473 I CA -0.296 60.995 61.300 -0.015 0.000 1.372 473 I CB -0.428 37.566 38.000 -0.011 0.000 1.443 473 I HN 0.174 nan 8.210 nan 0.000 0.554 474 N N 0.000 118.694 118.700 -0.011 0.000 1.763 474 N HA 0.000 4.740 4.740 0.000 0.000 0.220 474 N CA 0.000 53.046 53.050 -0.007 0.000 0.885 474 N CB 0.000 38.481 38.487 -0.009 0.000 1.341 474 N HN 0.000 nan 8.380 nan 0.000 0.667